N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride

C17H31ClN4O2 — CID 120599279

IUPACN-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)CCN1.Cl
InChIInChI=1S/C17H30N4O2.ClH/c1-13-11-15(6-7-18-13)19-16(22)14-5-4-10-21(12-14)17(23)20-8-2-3-9-20;/h13-15,18H,2-12H2,1H3,(H,19,22);1H
InChIKeyGAKNDZKLQCQTKM-UHFFFAOYSA-N
MW358.91 g/mol
LogP1.59
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120599279) has the molecular formula C17H31ClN4O2 and a molecular weight of 358.91 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID120599279
Molecular FormulaC17H31ClN4O2
Molecular Weight358.91 g/mol
Exact Mass358.21
IUPAC NameN-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)CCN1.Cl
InChIInChI=1S/C17H30N4O2.ClH/c1-13-11-15(6-7-18-13)19-16(22)14-5-4-10-21(12-14)17(23)20-8-2-3-9-20;/h13-15,18H,2-12H2,1H3,(H,19,22);1H
InChIKeyGAKNDZKLQCQTKM-UHFFFAOYSA-N
XLogP1.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 120599408
1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide
CID 120602193
N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119478354
4-methyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995297
3-N-(3-methylcyclopentyl)piperidine-1,3-dicarboxamide
CID 114550176
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995432
1-(cyclopropanecarbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119453411
2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600315
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119425062
(3R)-3-N-[(1R,3R)-3-methylcyclohexyl]piperidine-1,3-dicarboxamide
CID 32567673

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride (CID 120599279) is N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride is CC1CC(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is GAKNDZKLQCQTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.ClH/c1-13-11-15(6-7-18-13)19-16(22)14-5-4-10-21(12-14)17(23)20-8-2-3-9-20;/h13-15,18H,2-12H2,1H3,(H,19,22);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120599279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).