N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide

C15H19N5O — CID 60944276

IUPACN-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(Cn2cncn2)c1)C1CCCCN1
InChIInChI=1S/C15H19N5O/c21-15(14-6-1-2-7-17-14)19-13-5-3-4-12(8-13)9-20-11-16-10-18-20/h3-5,8,10-11,14,17H,1-2,6-7,9H2,(H,19,21)
InChIKeyZCSGSZNITXMQDN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.41
Rot. Bonds4

About N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide

N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide (PubChem CID 60944276) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
PubChem CID60944276
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(Cn2cncn2)c1)C1CCCCN1
InChIInChI=1S/C15H19N5O/c21-15(14-6-1-2-7-17-14)19-13-5-3-4-12(8-13)9-20-11-16-10-18-20/h3-5,8,10-11,14,17H,1-2,6-7,9H2,(H,19,21)
InChIKeyZCSGSZNITXMQDN-UHFFFAOYSA-N
XLogP1.41
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 103813532
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119852249
(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
CID 119859094
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101
(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939329
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
4-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209719
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide (CID 60944276) is N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide is O=C(Nc1cccc(Cn2cncn2)c1)C1CCCCN1.
What is the InChIKey of N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is ZCSGSZNITXMQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(14-6-1-2-7-17-14)19-13-5-3-4-12(8-13)9-20-11-16-10-18-20/h3-5,8,10-11,14,17H,1-2,6-7,9H2,(H,19,21).
What are the key properties of N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide?
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 60944276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).