N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H27N5O3 — CID 119793747

IUPACN-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H27N5O3/c26-18-3-1-2-4-19(18)28-16-7-5-14(6-8-16)22-20(27)17-13-25(24-23-17)15-9-11-21-12-10-15/h5-8,13,15,18-19,21,26H,1-4,9-12H2,(H,22,27)
InChIKeyVUPUUKQQMPKLMG-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.14
Rot. Bonds5

About N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119793747) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119793747
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H27N5O3/c26-18-3-1-2-4-19(18)28-16-7-5-14(6-8-16)22-20(27)17-13-25(24-23-17)15-9-11-21-12-10-15/h5-8,13,15,18-19,21,26H,1-4,9-12H2,(H,22,27)
InChIKeyVUPUUKQQMPKLMG-UHFFFAOYSA-N
XLogP2.14
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763422
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide
CID 119698612
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
CID 119698611
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119769642
N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119752139
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119793747) is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1ccc(OC2CCCCC2O)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is VUPUUKQQMPKLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-18-3-1-2-4-19(18)28-16-7-5-14(6-8-16)22-20(27)17-13-25(24-23-17)15-9-11-21-12-10-15/h5-8,13,15,18-19,21,26H,1-4,9-12H2,(H,22,27).
What are the key properties of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119793747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).