(3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C17H20N6O — CID 124739550

IUPAC(3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESN#Cc1cccc(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)c1
InChIInChI=1S/C17H20N6O/c18-10-15-4-1-3-14(9-15)6-7-20-17(24)22-8-2-5-16(11-22)23-13-19-12-21-23/h1,3-4,9,12-13,16H,2,5-8,11H2,(H,20,24)/t16-/m1/s1
InChIKeySXZUIWWKWSOCHP-MRXNPFEDSA-N
MW324.39 g/mol
LogP1.74
Rot. Bonds4

About (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

(3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 124739550) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID124739550
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESN#Cc1cccc(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)c1
InChIInChI=1S/C17H20N6O/c18-10-15-4-1-3-14(9-15)6-7-20-17(24)22-8-2-5-16(11-22)23-13-19-12-21-23/h1,3-4,9,12-13,16H,2,5-8,11H2,(H,20,24)/t16-/m1/s1
InChIKeySXZUIWWKWSOCHP-MRXNPFEDSA-N
XLogP1.74
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylcyclopropyl)-4-(1H-1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 45269947
1-(2-Phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 51081821
1-[1-(4-Cyanophenyl)ethyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 51082820
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 53500091
4-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
CID 53503274
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperidine-1-carboxamide
CID 53505079
N-[1-(2,4-difluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53572276
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53577364
N-[(2-methylphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53577956
N-[1-(4-propan-2-ylphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53590207
N-[1-(2,5-dimethylphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53599113
N-[1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53602748

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 124739550) is (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is N#Cc1cccc(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)c1.
What is the InChIKey of (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is SXZUIWWKWSOCHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N6O/c18-10-15-4-1-3-14(9-15)6-7-20-17(24)22-8-2-5-16(11-22)23-13-19-12-21-23/h1,3-4,9,12-13,16H,2,5-8,11H2,(H,20,24)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
(3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124739550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).