N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

C23H27N5O — CID 119769374

IUPACN-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(CCCc2ccccc2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C23H27N5O/c29-23(22-17-28(27-26-22)21-13-15-24-16-14-21)25-20-11-9-19(10-12-20)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,17,21,24H,4,7-8,13-16H2,(H,25,29)
InChIKeyNIIRILYBFWRUOV-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.63
Rot. Bonds7

About N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119769374) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119769374
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(CCCc2ccccc2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C23H27N5O/c29-23(22-17-28(27-26-22)21-13-15-24-16-14-21)25-20-11-9-19(10-12-20)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,17,21,24H,4,7-8,13-16H2,(H,25,29)
InChIKeyNIIRILYBFWRUOV-UHFFFAOYSA-N
XLogP3.63
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide
CID 119862108
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
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
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119769642
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide
CID 119698612

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119769374) is N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1ccc(CCCc2ccccc2)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is NIIRILYBFWRUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(22-17-28(27-26-22)21-13-15-24-16-14-21)25-20-11-9-19(10-12-20)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,17,21,24H,4,7-8,13-16H2,(H,25,29).
What are the key properties of N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119769374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).