(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide

C27H31ClN4O2 — CID 30153690

IUPAC(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C3CCCC3)C2)cc1
InChIInChI=1S/C27H31ClN4O2/c1-19-8-14-23(15-9-19)31-16-4-5-21(17-31)27(33)32(24-6-2-3-7-24)18-25-29-26(30-34-25)20-10-12-22(28)13-11-20/h8-15,21,24H,2-7,16-18H2,1H3/t21-/m0/s1
InChIKeyRCKVYJLGYOXBCB-NRFANRHFSA-N
MW479.02 g/mol
LogP5.89
Rot. Bonds6

About (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide

(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 30153690) has the molecular formula C27H31ClN4O2 and a molecular weight of 479.02 g/mol. Its IUPAC name is (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID30153690
Molecular FormulaC27H31ClN4O2
Molecular Weight479.02 g/mol
Exact Mass478.21
IUPAC Name(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C3CCCC3)C2)cc1
InChIInChI=1S/C27H31ClN4O2/c1-19-8-14-23(15-9-19)31-16-4-5-21(17-31)27(33)32(24-6-2-3-7-24)18-25-29-26(30-34-25)20-10-12-22(28)13-11-20/h8-15,21,24H,2-7,16-18H2,1H3/t21-/m0/s1
InChIKeyRCKVYJLGYOXBCB-NRFANRHFSA-N
XLogP5.89
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.02
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153604
(3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 30153628
N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 43889604
(3S)-N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 30153745
(3R)-N-tert-butyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153994
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-3,5-dimethylbenzamide
CID 8875279
(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153820
3-(4-chlorophenyl)-5-[[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42101265
N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 20904857
4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835715
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
CID 2951433
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930563

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide (CID 30153690) is (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C3CCCC3)C2)cc1.
What is the InChIKey of (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is RCKVYJLGYOXBCB-NRFANRHFSA-N. The full InChI is InChI=1S/C27H31ClN4O2/c1-19-8-14-23(15-9-19)31-16-4-5-21(17-31)27(33)32(24-6-2-3-7-24)18-25-29-26(30-34-25)20-10-12-22(28)13-11-20/h8-15,21,24H,2-7,16-18H2,1H3/t21-/m0/s1.
What are the key properties of (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide?
(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 479.02 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 30153690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).