N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide

C22H27N3O — CID 59764610

IUPACN-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C22H27N3O/c26-22(23-20-9-5-2-6-10-20)25-16-13-21(17-25)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21H,11-17H2,(H,23,26)
InChIKeyUXCJABGYSFBVBE-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.17
Rot. Bonds3

About N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide

N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide (PubChem CID 59764610) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
PubChem CID59764610
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C22H27N3O/c26-22(23-20-9-5-2-6-10-20)25-16-13-21(17-25)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21H,11-17H2,(H,23,26)
InChIKeyUXCJABGYSFBVBE-UHFFFAOYSA-N
XLogP4.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139858
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 15985087
N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140121
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
CID 166262555
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 15985088

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide (CID 59764610) is N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is UXCJABGYSFBVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(23-20-9-5-2-6-10-20)25-16-13-21(17-25)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21H,11-17H2,(H,23,26).
What are the key properties of N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide?
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 59764610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).