N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide

C30H29FN4O3 — CID 59527695

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(c4ccccc4)CC3)cc2)no1
InChIInChI=1S/C30H29FN4O3/c1-20(22-12-14-26(31)15-13-22)32-29(37)30(25-6-4-3-5-7-25)16-18-35(19-17-30)28(36)24-10-8-23(9-11-24)27-33-21(2)38-34-27/h3-15,20H,16-19H2,1-2H3,(H,32,37)/t20-/m0/s1
InChIKeyQALXGIACUUCDHN-FQEVSTJZSA-N
MW512.59 g/mol
LogP5.24
Rot. Bonds6

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

N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 59527695) has the molecular formula C30H29FN4O3 and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
PubChem CID59527695
Molecular FormulaC30H29FN4O3
Molecular Weight512.59 g/mol
Exact Mass512.22
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(c4ccccc4)CC3)cc2)no1
InChIInChI=1S/C30H29FN4O3/c1-20(22-12-14-26(31)15-13-22)32-29(37)30(25-6-4-3-5-7-25)16-18-35(19-17-30)28(36)24-10-8-23(9-11-24)27-33-21(2)38-34-27/h3-15,20H,16-19H2,1-2H3,(H,32,37)/t20-/m0/s1
InChIKeyQALXGIACUUCDHN-FQEVSTJZSA-N
XLogP5.24
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527736
4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 91395478
4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 59527840
4-phenyl-N-[(1S)-1-phenylethyl]-1-(4-piperidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 59527796
4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 59527906
1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527743
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 59527832

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide (CID 59527695) is N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide is Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(c4ccccc4)CC3)cc2)no1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is QALXGIACUUCDHN-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H29FN4O3/c1-20(22-12-14-26(31)15-13-22)32-29(37)30(25-6-4-3-5-7-25)16-18-35(19-17-30)28(36)24-10-8-23(9-11-24)27-33-21(2)38-34-27/h3-15,20H,16-19H2,1-2H3,(H,32,37)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 59527695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).