N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C15H25N5O2 — CID 125118838

IUPACN-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCC[C@H]1O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H25N5O2/c21-14-4-2-1-3-11(14)9-17-15(22)13-10-20(19-18-13)12-5-7-16-8-6-12/h10-12,14,16,21H,1-9H2,(H,17,22)/t11-,14-/m1/s1
InChIKeyPMTHKGPGHDMIAF-BXUZGUMPSA-N
MW307.40 g/mol
LogP0.48
Rot. Bonds4

About N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 125118838) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID125118838
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCC[C@H]1O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H25N5O2/c21-14-4-2-1-3-11(14)9-17-15(22)13-10-20(19-18-13)12-5-7-16-8-6-12/h10-12,14,16,21H,1-9H2,(H,17,22)/t11-,14-/m1/s1
InChIKeyPMTHKGPGHDMIAF-BXUZGUMPSA-N
XLogP0.48
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106134225
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(1,4-dithian-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 115739489
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 125118838) is N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NC[C@H]1CCCC[C@H]1O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PMTHKGPGHDMIAF-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H25N5O2/c21-14-4-2-1-3-11(14)9-17-15(22)13-10-20(19-18-13)12-5-7-16-8-6-12/h10-12,14,16,21H,1-9H2,(H,17,22)/t11-,14-/m1/s1.
What are the key properties of N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 125118838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).