N-propan-2-ylpiperazine-1-carboxamide

C8H17N3O — CID 16740267

IUPACN-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCNCC1
InChIInChI=1S/C8H17N3O/c1-7(2)10-8(12)11-5-3-9-4-6-11/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyJJRVDRJMXJJPDM-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.01
Rot. Bonds1

About N-propan-2-ylpiperazine-1-carboxamide

N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 16740267) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylpiperazine-1-carboxamide
PubChem CID16740267
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCNCC1
InChIInChI=1S/C8H17N3O/c1-7(2)10-8(12)11-5-3-9-4-6-11/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyJJRVDRJMXJJPDM-UHFFFAOYSA-N
XLogP0.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylpiperazine-1-carboxamide hydrochloride
CID 16192652
n,n-Dimethylpiperazine-1-carboxamide
CID 712909
n,n'-Diethylpiperazine-1,4-dicarboxamide
CID 235434
N-(1,1-Dimethylethyl)-1-piperazinecarboxamide
CID 11321368
N-methylpiperazine-1-carboxamide
CID 11672770
1-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 349503
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
N,N-Diethylpiperazine-1-carboxamide
CID 67067
N,N'-dipropyl-1,4-piperazinedicarboxamide
CID 2174167
1-Piperazinecarboxamide, N-ethyl-4-methyl-, hydrochloride
CID 116044
1-Piperazinecarboxamide, N,N-diisopropyl-4-methyl-, hydrochloride
CID 116046

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-propan-2-ylpiperazine-1-carboxamide (CID 16740267) is N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCNCC1.
What is the InChIKey of N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is JJRVDRJMXJJPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(2)10-8(12)11-5-3-9-4-6-11/h7,9H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-propan-2-ylpiperazine-1-carboxamide?
N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 16740267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).