1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide

C25H31N3O2 — CID 112845834

IUPAC1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)C2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H31N3O2/c1-19-8-5-6-16-27(19)18-20-12-14-22(15-13-20)26-24(29)23-11-7-17-28(23)25(30)21-9-3-2-4-10-21/h2-4,9-10,12-15,19,23H,5-8,11,16-18H2,1H3,(H,26,29)
InChIKeyGZHOKXIDUQYZGH-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.30
Rot. Bonds5

About 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide

1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 112845834) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID112845834
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)C2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H31N3O2/c1-19-8-5-6-16-27(19)18-20-12-14-22(15-13-20)26-24(29)23-11-7-17-28(23)25(30)21-9-3-2-4-10-21/h2-4,9-10,12-15,19,23H,5-8,11,16-18H2,1H3,(H,26,29)
InChIKeyGZHOKXIDUQYZGH-UHFFFAOYSA-N
XLogP4.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 60555694
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 136577370
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893
3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119844935

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide (CID 112845834) is 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide is CC1CCCCN1Cc1ccc(NC(=O)C2CCCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GZHOKXIDUQYZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19-8-5-6-16-27(19)18-20-12-14-22(15-13-20)26-24(29)23-11-7-17-28(23)25(30)21-9-3-2-4-10-21/h2-4,9-10,12-15,19,23H,5-8,11,16-18H2,1H3,(H,26,29).
What are the key properties of 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide?
1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 112845834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).