N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide

C24H29N5O2 — CID 53166155

IUPACN-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1ccc(C(C)NC(=O)C2CCN(c3ncccc3-c3noc(C)n3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-4-18-7-9-19(10-8-18)16(2)26-24(30)20-11-14-29(15-12-20)23-21(6-5-13-25-23)22-27-17(3)31-28-22/h5-10,13,16,20H,4,11-12,14-15H2,1-3H3,(H,26,30)
InChIKeyRQSBPNAVJZGBCE-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.10
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide

N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 53166155) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID53166155
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1ccc(C(C)NC(=O)C2CCN(c3ncccc3-c3noc(C)n3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-4-18-7-9-19(10-8-18)16(2)26-24(30)20-11-14-29(15-12-20)23-21(6-5-13-25-23)22-27-17(3)31-28-22/h5-10,13,16,20H,4,11-12,14-15H2,1-3H3,(H,26,30)
InChIKeyRQSBPNAVJZGBCE-UHFFFAOYSA-N
XLogP4.10
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166154
N-[(4-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166129
N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 93071770
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166161
N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166137
N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166127
N-[(2S)-butan-2-yl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 95092882
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53135836
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100787
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95101129
(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone
CID 53166142
(3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 95101176

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 53166155) is N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide is CCc1ccc(C(C)NC(=O)C2CCN(c3ncccc3-c3noc(C)n3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is RQSBPNAVJZGBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-4-18-7-9-19(10-8-18)16(2)26-24(30)20-11-14-29(15-12-20)23-21(6-5-13-25-23)22-27-17(3)31-28-22/h5-10,13,16,20H,4,11-12,14-15H2,1-3H3,(H,26,30).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 53166155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).