N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone

C56H115N15O5 — CID 160936104

IUPACN,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(C(C)C)CC1.CC(=O)CN1CCN(C(C)C)CC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(N)=O)CC1.CC(C)NC(=O)N1CCN(C(C)C)CC1.[H]/N=C(\N)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O.C10H20N2O.C10H19NO.C9H18N2O.C8H18N4.C8H17N3O/c1-9(2)12-11(15)14-7-5-13(6-8-14)10(3)4;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-8(2)11-6-4-10(5-7-11)9(3)12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)11-3-5-12(6-4-11)8(9)10;1-7(2)10-3-5-11(6-4-10)8(9)12/h9-10H,5-8H2,1-4H3,(H,12,15);9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3,(H3,9,10);7H,3-6H2,1-2H3,(H2,9,12)
InChIKeySTWVHDQFLNXADD-UHFFFAOYSA-N
MW1078.64 g/mol
LogP3.98
Rot. Bonds10

About N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone

N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 160936104) has the molecular formula C56H115N15O5 and a molecular weight of 1078.64 g/mol. Its IUPAC name is N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound NameN,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID160936104
Molecular FormulaC56H115N15O5
Molecular Weight1078.64 g/mol
Exact Mass1077.92
IUPAC NameN,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(C(C)C)CC1.CC(=O)CN1CCN(C(C)C)CC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(N)=O)CC1.CC(C)NC(=O)N1CCN(C(C)C)CC1.[H]/N=C(\N)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O.C10H20N2O.C10H19NO.C9H18N2O.C8H18N4.C8H17N3O/c1-9(2)12-11(15)14-7-5-13(6-8-14)10(3)4;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-8(2)11-6-4-10(5-7-11)9(3)12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)11-3-5-12(6-4-11)8(9)10;1-7(2)10-3-5-11(6-4-10)8(9)12/h9-10H,5-8H2,1-4H3,(H,12,15);9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3,(H3,9,10);7H,3-6H2,1-2H3,(H2,9,12)
InChIKeySTWVHDQFLNXADD-UHFFFAOYSA-N
XLogP3.98
TPSA208.91 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.64
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone)
CID 157102435
(2S)-2-amino-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylpiperazine;N,4-dimethylpiperidine-1-carboxamide;methane;tris(1-methylpiperidine)
CID 161382164

Frequently Asked Questions

What is the IUPAC name of N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 160936104) is N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone is CC(=O)C1CCN(C(C)C)CC1.CC(=O)CN1CCN(C(C)C)CC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(N)=O)CC1.CC(C)NC(=O)N1CCN(C(C)C)CC1.[H]/N=C(\N)N1CCN(C(C)C)CC1.
What is the InChIKey of N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is STWVHDQFLNXADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C10H20N2O.C10H19NO.C9H18N2O.C8H18N4.C8H17N3O/c1-9(2)12-11(15)14-7-5-13(6-8-14)10(3)4;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-8(2)11-6-4-10(5-7-11)9(3)12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)11-3-5-12(6-4-11)8(9)10;1-7(2)10-3-5-11(6-4-10)8(9)12/h9-10H,5-8H2,1-4H3,(H,12,15);9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3,(H3,9,10);7H,3-6H2,1-2H3,(H2,9,12).
What are the key properties of N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 1078.64 g/mol, XLogP of 3.98, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 160936104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).