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

C21H29N5O2 — CID 119763422

IUPACN-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCCC2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C21H29N5O2/c27-21(20-14-26(25-24-20)18-10-12-22-13-11-18)23-17-6-8-19(9-7-17)28-15-16-4-2-1-3-5-16/h6-9,14,16,18,22H,1-5,10-13,15H2,(H,23,27)
InChIKeyMRCIDJCBNNTFHW-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.41
Rot. Bonds6

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

N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119763422) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119763422
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCCC2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C21H29N5O2/c27-21(20-14-26(25-24-20)18-10-12-22-13-11-18)23-17-6-8-19(9-7-17)28-15-16-4-2-1-3-5-16/h6-9,14,16,18,22H,1-5,10-13,15H2,(H,23,27)
InChIKeyMRCIDJCBNNTFHW-UHFFFAOYSA-N
XLogP3.41
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119793747
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
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763416
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119752139
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119849080
1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide
CID 119862108
N-(4-ethoxy-3-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688375

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119763422) is N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1ccc(OCC2CCCCC2)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is MRCIDJCBNNTFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-21(20-14-26(25-24-20)18-10-12-22-13-11-18)23-17-6-8-19(9-7-17)28-15-16-4-2-1-3-5-16/h6-9,14,16,18,22H,1-5,10-13,15H2,(H,23,27).
What are the key properties of N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119763422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).