3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

C25H29N3O2 — CID 1055016

IUPAC3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C25H29N3O2/c29-24(14-11-20-9-3-1-4-10-20)26-21-12-13-23(27-15-5-2-6-16-27)22(19-21)25(30)28-17-7-8-18-28/h1,3-4,9-14,19H,2,5-8,15-18H2,(H,26,29)
InChIKeySFGZIFPPXAFPFK-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.56
Rot. Bonds5

About 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 1055016) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
PubChem CID1055016
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C25H29N3O2/c29-24(14-11-20-9-3-1-4-10-20)26-21-12-13-23(27-15-5-2-6-16-27)22(19-21)25(30)28-17-7-8-18-28/h1,3-4,9-14,19H,2,5-8,15-18H2,(H,26,29)
InChIKeySFGZIFPPXAFPFK-UHFFFAOYSA-N
XLogP4.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-5-[[(E)-3-phenylprop-2-enoyl]amino]-2-piperidin-1-ylbenzamide
CID 1054955
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310
2-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055001
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
CID 1059306
2,2-dichloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]acetamide
CID 1063786
1-(2-bromophenyl)-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 1064177
2,2-dimethyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
CID 771523
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
(E)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3-phenylprop-2-enamide
CID 52666568
4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1054983

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (CID 1055016) is 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1.
What is the InChIKey of 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The InChIKey is SFGZIFPPXAFPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-24(14-11-20-9-3-1-4-10-20)26-21-12-13-23(27-15-5-2-6-16-27)22(19-21)25(30)28-17-7-8-18-28/h1,3-4,9-14,19H,2,5-8,15-18H2,(H,26,29).
What are the key properties of 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 403.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 1055016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).