N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C23H33N3O2 — CID 131942557

IUPACN-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(c1ccccc1)N1CCCC(NC(=O)C2(N3CCCC3)CCCCC2)C1
InChIInChI=1S/C23H33N3O2/c27-21(19-10-3-1-4-11-19)25-15-9-12-20(18-25)24-22(28)23(13-5-2-6-14-23)26-16-7-8-17-26/h1,3-4,10-11,20H,2,5-9,12-18H2,(H,24,28)
InChIKeyJWFWGIMJXQBGLC-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.21
Rot. Bonds4

About N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131942557) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID131942557
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(c1ccccc1)N1CCCC(NC(=O)C2(N3CCCC3)CCCCC2)C1
InChIInChI=1S/C23H33N3O2/c27-21(19-10-3-1-4-11-19)25-15-9-12-20(18-25)24-22(28)23(13-5-2-6-14-23)26-16-7-8-17-26/h1,3-4,10-11,20H,2,5-9,12-18H2,(H,24,28)
InChIKeyJWFWGIMJXQBGLC-UHFFFAOYSA-N
XLogP3.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 95906190
N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 118789924
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 42460035
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 131942557) is N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is O=C(c1ccccc1)N1CCCC(NC(=O)C2(N3CCCC3)CCCCC2)C1.
What is the InChIKey of N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is JWFWGIMJXQBGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c27-21(19-10-3-1-4-11-19)25-15-9-12-20(18-25)24-22(28)23(13-5-2-6-14-23)26-16-7-8-17-26/h1,3-4,10-11,20H,2,5-9,12-18H2,(H,24,28).
What are the key properties of N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131942557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).