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

C22H33N3O — CID 131915786

IUPACN-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C22H33N3O/c26-21(22(12-5-2-6-13-22)25-14-7-8-15-25)23-20-11-16-24(18-20)17-19-9-3-1-4-10-19/h1,3-4,9-10,20H,2,5-8,11-18H2,(H,23,26)
InChIKeyBHHORHFGWQFNOM-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.18
Rot. Bonds5

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

N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131915786) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID131915786
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C22H33N3O/c26-21(22(12-5-2-6-13-22)25-14-7-8-15-25)23-20-11-16-24(18-20)17-19-9-3-1-4-10-19/h1,3-4,9-10,20H,2,5-8,11-18H2,(H,23,26)
InChIKeyBHHORHFGWQFNOM-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131942557
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8694516

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 131915786) is N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)C1(N2CCCC2)CCCCC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is BHHORHFGWQFNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c26-21(22(12-5-2-6-13-22)25-14-7-8-15-25)23-20-11-16-24(18-20)17-19-9-3-1-4-10-19/h1,3-4,9-10,20H,2,5-8,11-18H2,(H,23,26).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131915786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).