4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide

C12H25N3O — CID 17184973

IUPAC4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)9-14-5-7-15(8-6-14)12(16)13-11(3)4/h10-11H,5-9H2,1-4H3,(H,13,16)
InChIKeyVFOWIDVGVQSCCZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds3

About 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 17184973) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID17184973
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)9-14-5-7-15(8-6-14)12(16)13-11(3)4/h10-11H,5-9H2,1-4H3,(H,13,16)
InChIKeyVFOWIDVGVQSCCZ-UHFFFAOYSA-N
XLogP1.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-Dimethylethyl)-1-piperazinecarboxamide
CID 11321368
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
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-[2-(Piperazin-1-yl)ethyl]-3-(propan-2-yl)urea
CID 43600356
N-(propan-2-yl)piperazine-1-carboxamide hydrochloride
CID 17811303
N,N-diethylpiperazine-1-carboxamide hydrochloride
CID 18590490
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
4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 17184973) is 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide is CC(C)CN1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is VFOWIDVGVQSCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)9-14-5-7-15(8-6-14)12(16)13-11(3)4/h10-11H,5-9H2,1-4H3,(H,13,16).
What are the key properties of 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17184973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).