(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide

C25H29N5O2 — CID 95101129

IUPAC(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-17(18-8-3-2-4-9-18)27-24(31)20-12-7-15-30(16-20)23-21(13-6-14-26-23)22-28-25(32-29-22)19-10-5-11-19/h2-4,6,8-9,13-14,17,19-20H,5,7,10-12,15-16H2,1H3,(H,27,31)/t17-,20-/m0/s1
InChIKeyUOBICRSLPVMDNP-PXNSSMCTSA-N
MW431.54 g/mol
LogP4.49
Rot. Bonds6

About (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide

(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide (PubChem CID 95101129) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
PubChem CID95101129
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-17(18-8-3-2-4-9-18)27-24(31)20-12-7-15-30(16-20)23-21(13-6-14-26-23)22-28-25(32-29-22)19-10-5-11-19/h2-4,6,8-9,13-14,17,19-20H,5,7,10-12,15-16H2,1H3,(H,27,31)/t17-,20-/m0/s1
InChIKeyUOBICRSLPVMDNP-PXNSSMCTSA-N
XLogP4.49
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 95101176
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95101144
1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53166229
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 95101110
[(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 95101116
N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 93071770
N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166154
1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 53166201
(3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 95101094
N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166155
(3S)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95101053
azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 53166187

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide (CID 95101129) is (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide is C[C@H](NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccccc1.
What is the InChIKey of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
The InChIKey is UOBICRSLPVMDNP-PXNSSMCTSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17(18-8-3-2-4-9-18)27-24(31)20-12-7-15-30(16-20)23-21(13-6-14-26-23)22-28-25(32-29-22)19-10-5-11-19/h2-4,6,8-9,13-14,17,19-20H,5,7,10-12,15-16H2,1H3,(H,27,31)/t17-,20-/m0/s1.
What are the key properties of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95101129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).