4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide

C30H34FN3O3 — CID 70225775

IUPAC4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1cc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(C4CCCC4)CC3)cc2)on1
InChIInChI=1S/C30H34FN3O3/c1-20-19-27(37-33-20)23-7-9-24(10-8-23)28(35)34-17-15-30(16-18-34,25-5-3-4-6-25)29(36)32-21(2)22-11-13-26(31)14-12-22/h7-14,19,21,25H,3-6,15-18H2,1-2H3,(H,32,36)/t21-/m0/s1
InChIKeyJACNLRRSBNYFAQ-NRFANRHFSA-N
MW503.62 g/mol
LogP6.08
Rot. Bonds6

About 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide

4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 70225775) has the molecular formula C30H34FN3O3 and a molecular weight of 503.62 g/mol. Its IUPAC name is 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide
PubChem CID70225775
Molecular FormulaC30H34FN3O3
Molecular Weight503.62 g/mol
Exact Mass503.26
IUPAC Name4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1cc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(C4CCCC4)CC3)cc2)on1
InChIInChI=1S/C30H34FN3O3/c1-20-19-27(37-33-20)23-7-9-24(10-8-23)28(35)34-17-15-30(16-18-34,25-5-3-4-6-25)29(36)32-21(2)22-11-13-26(31)14-12-22/h7-14,19,21,25H,3-6,15-18H2,1-2H3,(H,32,36)/t21-/m0/s1
InChIKeyJACNLRRSBNYFAQ-NRFANRHFSA-N
XLogP6.08
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.62
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide (CID 70225775) is 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide is Cc1cc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(C4CCCC4)CC3)cc2)on1.
What is the InChIKey of 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is JACNLRRSBNYFAQ-NRFANRHFSA-N. The full InChI is InChI=1S/C30H34FN3O3/c1-20-19-27(37-33-20)23-7-9-24(10-8-23)28(35)34-17-15-30(16-18-34,25-5-3-4-6-25)29(36)32-21(2)22-11-13-26(31)14-12-22/h7-14,19,21,25H,3-6,15-18H2,1-2H3,(H,32,36)/t21-/m0/s1.
What are the key properties of 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide?
4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 503.62 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 70225775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).