4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide

C13H27N3O — CID 17183858

IUPAC4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)CCN1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)5-6-15-7-9-16(10-8-15)13(17)14-12(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyOPSKNFGLNNFJHF-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.77
Rot. Bonds4

About 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 17183858) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID17183858
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)CCN1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)5-6-15-7-9-16(10-8-15)13(17)14-12(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyOPSKNFGLNNFJHF-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-Dimethylethyl)-1-piperazinecarboxamide
CID 11321368
1-[2-(Piperazin-1-yl)ethyl]-3-(propan-2-yl)urea
CID 43600356
N-(propan-2-yl)piperazine-1-carboxamide hydrochloride
CID 17811303
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
1-Cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 47038655
3-(dimethylamino)-N-(3,3-dimethylbutyl)piperidine-1-carboxamide
CID 72145167
N-(3-methylbutyl)-3-oxopiperazine-1-carboxamide
CID 172433619
4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138
4-methyl-N-propylpiperazine-1-carboxamide
CID 6461326
N-Isopropylpiperazine-1-carboxamide
CID 16740267
N,N-dimethyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 53509262
3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
CID 53933480

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 17183858) is 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide is CC(C)CCN1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is OPSKNFGLNNFJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)5-6-15-7-9-16(10-8-15)13(17)14-12(3)4/h11-12H,5-10H2,1-4H3,(H,14,17).
What are the key properties of 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17183858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).