3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide

C16H30N4O2 — CID 119578508

IUPAC3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCNC(C)C2)C1
InChIInChI=1S/C16H30N4O2/c1-12(2)9-18-16(22)20-7-4-5-14(11-20)15(21)19-8-6-17-13(3)10-19/h12-14,17H,4-11H2,1-3H3,(H,18,22)
InChIKeyRYPGRKOHSWAYGF-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.88
Rot. Bonds3

About 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide

3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 119578508) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID119578508
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCNC(C)C2)C1
InChIInChI=1S/C16H30N4O2/c1-12(2)9-18-16(22)20-7-4-5-14(11-20)15(21)19-8-6-17-13(3)10-19/h12-14,17H,4-11H2,1-3H3,(H,18,22)
InChIKeyRYPGRKOHSWAYGF-UHFFFAOYSA-N
XLogP0.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119594752
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256418
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119442831
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
CID 119577627
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide (CID 119578508) is 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCCC(C(=O)N2CCNC(C)C2)C1.
What is the InChIKey of 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is RYPGRKOHSWAYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-12(2)9-18-16(22)20-7-4-5-14(11-20)15(21)19-8-6-17-13(3)10-19/h12-14,17H,4-11H2,1-3H3,(H,18,22).
What are the key properties of 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide?
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 119578508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).