N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide

C16H18N6O — CID 119702697

IUPACN-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18N6O/c23-16(19-12-1-2-14-11(9-12)3-8-18-14)15-10-22(21-20-15)13-4-6-17-7-5-13/h1-3,8-10,13,17-18H,4-7H2,(H,19,23)
InChIKeyFYBVEXKDOCPPIA-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.94
Rot. Bonds3

About N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide

N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119702697) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119702697
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18N6O/c23-16(19-12-1-2-14-11(9-12)3-8-18-14)15-10-22(21-20-15)13-4-6-17-7-5-13/h1-3,8-10,13,17-18H,4-7H2,(H,19,23)
InChIKeyFYBVEXKDOCPPIA-UHFFFAOYSA-N
XLogP1.94
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119707993
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119718961
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119786724

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119702697) is N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is FYBVEXKDOCPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16(19-12-1-2-14-11(9-12)3-8-18-14)15-10-22(21-20-15)13-4-6-17-7-5-13/h1-3,8-10,13,17-18H,4-7H2,(H,19,23).
What are the key properties of N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119702697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).