N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C18H29N3O2 — CID 113104357

IUPACN-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-5-15(4)19-18(22)21-12-10-20(11-13-21)16-6-8-17(9-7-16)23-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,19,22)
InChIKeyAMBFZEFRPHYTSW-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.10
Rot. Bonds5

About N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113104357) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113104357
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-5-15(4)19-18(22)21-12-10-20(11-13-21)16-6-8-17(9-7-16)23-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,19,22)
InChIKeyAMBFZEFRPHYTSW-UHFFFAOYSA-N
XLogP3.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820
4-(1,3-benzodioxol-5-yl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104385
N-[2-(2-fluorophenyl)ethyl]-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109055
4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 95126839
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
methyl 3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]benzoate
CID 113104367
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55589558
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113104357) is N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is AMBFZEFRPHYTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-15(4)19-18(22)21-12-10-20(11-13-21)16-6-8-17(9-7-16)23-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,19,22).
What are the key properties of N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).