1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide

C20H28N6O — CID 119862108

IUPAC1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(CCN2CCCC2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H28N6O/c27-20(19-15-26(24-23-19)18-7-10-21-11-8-18)22-17-5-3-16(4-6-17)9-14-25-12-1-2-13-25/h3-6,15,18,21H,1-2,7-14H2,(H,22,27)
InChIKeyYRZMAOOSKVZRPT-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.09
Rot. Bonds6

About 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide

1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide (PubChem CID 119862108) has the molecular formula C20H28N6O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide
PubChem CID119862108
Molecular FormulaC20H28N6O
Molecular Weight368.48 g/mol
Exact Mass368.23
IUPAC Name1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(CCN2CCCC2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H28N6O/c27-20(19-15-26(24-23-19)18-7-10-21-11-8-18)22-17-5-3-16(4-6-17)9-14-25-12-1-2-13-25/h3-6,15,18,21H,1-2,7-14H2,(H,22,27)
InChIKeyYRZMAOOSKVZRPT-UHFFFAOYSA-N
XLogP2.09
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119883333
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride
CID 119839749
1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119861130
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763422
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide (CID 119862108) is 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide is O=C(Nc1ccc(CCN2CCCC2)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide?
The InChIKey is YRZMAOOSKVZRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-20(19-15-26(24-23-19)18-7-10-21-11-8-18)22-17-5-3-16(4-6-17)9-14-25-12-1-2-13-25/h3-6,15,18,21H,1-2,7-14H2,(H,22,27).
What are the key properties of 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 119862108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).