N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C22H31N5O2 — CID 119763416

IUPACN-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OCC3CCCCC3)cc2)nnn1C1CCNCC1
InChIInChI=1S/C22H31N5O2/c1-16-21(25-26-27(16)19-11-13-23-14-12-19)22(28)24-18-7-9-20(10-8-18)29-15-17-5-3-2-4-6-17/h7-10,17,19,23H,2-6,11-15H2,1H3,(H,24,28)
InChIKeyXHIQOEPTGYBMDK-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.72
Rot. Bonds6

About N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119763416) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119763416
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OCC3CCCCC3)cc2)nnn1C1CCNCC1
InChIInChI=1S/C22H31N5O2/c1-16-21(25-26-27(16)19-11-13-23-14-12-19)22(28)24-18-7-9-20(10-8-18)29-15-17-5-3-2-4-6-17/h7-10,17,19,23H,2-6,11-15H2,1H3,(H,24,28)
InChIKeyXHIQOEPTGYBMDK-UHFFFAOYSA-N
XLogP3.72
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119858954
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763422
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
N-(3-ethoxy-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119717648
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119852347
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119852346
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
CID 119714993
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119763416) is N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(OCC3CCCCC3)cc2)nnn1C1CCNCC1.
What is the InChIKey of N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XHIQOEPTGYBMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16-21(25-26-27(16)19-11-13-23-14-12-19)22(28)24-18-7-9-20(10-8-18)29-15-17-5-3-2-4-6-17/h7-10,17,19,23H,2-6,11-15H2,1H3,(H,24,28).
What are the key properties of N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.72, 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]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119763416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).