N-methyl-N-propan-2-ylpiperazine-1-carboxamide

C9H19N3O — CID 16791160

IUPACN-methyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)N(C)C(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O/c1-8(2)11(3)9(13)12-6-4-10-5-7-12/h8,10H,4-7H2,1-3H3
InChIKeyHFKMHENCFXAOPP-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.35
Rot. Bonds1

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

N-methyl-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 16791160) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID16791160
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-methyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)N(C)C(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O/c1-8(2)11(3)9(13)12-6-4-10-5-7-12/h8,10H,4-7H2,1-3H3
InChIKeyHFKMHENCFXAOPP-UHFFFAOYSA-N
XLogP0.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
CID 62639572
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
N-methoxy-N-methylpiperazine-1-carboxamide
CID 174898096
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 55005313
3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980944
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-[1,4-diazepane-1-carbonyl(propan-2-yl)amino]acetic acid
CID 61402822
N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride
CID 43842039
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-methyl-N-propan-2-ylpiperazine-1-carboxamide (CID 16791160) is N-methyl-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-ylpiperazine-1-carboxamide is CC(C)N(C)C(=O)N1CCNCC1.
What is the InChIKey of N-methyl-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is HFKMHENCFXAOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(2)11(3)9(13)12-6-4-10-5-7-12/h8,10H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-ylpiperazine-1-carboxamide?
N-methyl-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 16791160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).