2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide

C16H27N3O2 — CID 119451771

IUPAC2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
SMILESO=C(NC1CCNC1)C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C16H27N3O2/c20-15(18-12-7-8-17-11-12)13-5-1-2-6-14(13)16(21)19-9-3-4-10-19/h12-14,17H,1-11H2,(H,18,20)
InChIKeyIJEAPVADAYMMKR-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.89
Rot. Bonds3

About 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide

2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide (PubChem CID 119451771) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
PubChem CID119451771
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
SMILESO=C(NC1CCNC1)C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C16H27N3O2/c20-15(18-12-7-8-17-11-12)13-5-1-2-6-14(13)16(21)19-9-3-4-10-19/h12-14,17H,1-11H2,(H,18,20)
InChIKeyIJEAPVADAYMMKR-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 120556975
cis-(1S,2R)-2-(pyrrolidine-1-carbonyl)-N-(thian-4-yl)cyclohexane-1-carboxamide
CID 95623329
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)-N-(thian-4-yl)cyclohexane-1-carboxamide
CID 95623326
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
1-(cyclopropanecarbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119453411
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1-(cyclopropanecarbonyl)-N-piperidin-3-ylpiperidine-3-carboxamide
CID 119428284
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452390
N-[(3S)-piperidin-3-yl]piperidine-1-carboxamide
CID 104982501

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide (CID 119451771) is 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide is O=C(NC1CCNC1)C1CCCCC1C(=O)N1CCCC1.
What is the InChIKey of 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
The InChIKey is IJEAPVADAYMMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15(18-12-7-8-17-11-12)13-5-1-2-6-14(13)16(21)19-9-3-4-10-19/h12-14,17H,1-11H2,(H,18,20).
What are the key properties of 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 119451771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).