N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H26FN5O — CID 119810342

IUPACN-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC(c1cccc(F)c1)C1CCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H26FN5O/c21-16-7-3-6-15(12-16)19(14-4-1-2-5-14)23-20(27)18-13-26(25-24-18)17-8-10-22-11-9-17/h3,6-7,12-14,17,19,22H,1-2,4-5,8-11H2,(H,23,27)
InChIKeyLBUVAFKKIGTQPO-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.00
Rot. Bonds5

About N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119810342) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119810342
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC(c1cccc(F)c1)C1CCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H26FN5O/c21-16-7-3-6-15(12-16)19(14-4-1-2-5-14)23-20(27)18-13-26(25-24-18)17-8-10-22-11-9-17/h3,6-7,12-14,17,19,22H,1-2,4-5,8-11H2,(H,23,27)
InChIKeyLBUVAFKKIGTQPO-UHFFFAOYSA-N
XLogP3.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-[1-(3-fluorophenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119884129
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119694864
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 25487064
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119745542
1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119707993

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119810342) is N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NC(c1cccc(F)c1)C1CCCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is LBUVAFKKIGTQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-16-7-3-6-15(12-16)19(14-4-1-2-5-14)23-20(27)18-13-26(25-24-18)17-8-10-22-11-9-17/h3,6-7,12-14,17,19,22H,1-2,4-5,8-11H2,(H,23,27).
What are the key properties of N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119810342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).