methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride

C16H26ClN5O3 — CID 119701259

IUPACmethyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(NC(=O)c2cn(C3CCNCC3)nn2)CCCCC1.Cl
InChIInChI=1S/C16H25N5O3.ClH/c1-24-15(23)16(7-3-2-4-8-16)18-14(22)13-11-21(20-19-13)12-5-9-17-10-6-12;/h11-12,17H,2-10H2,1H3,(H,18,22);1H
InChIKeyFZQANYPCKLDREC-UHFFFAOYSA-N
MW371.87 g/mol
LogP1.23
Rot. Bonds4

About methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride

methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride (PubChem CID 119701259) has the molecular formula C16H26ClN5O3 and a molecular weight of 371.87 g/mol. Its IUPAC name is methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
PubChem CID119701259
Molecular FormulaC16H26ClN5O3
Molecular Weight371.87 g/mol
Exact Mass371.17
IUPAC Namemethyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(NC(=O)c2cn(C3CCNCC3)nn2)CCCCC1.Cl
InChIInChI=1S/C16H25N5O3.ClH/c1-24-15(23)16(7-3-2-4-8-16)18-14(22)13-11-21(20-19-13)12-5-9-17-10-6-12;/h11-12,17H,2-10H2,1H3,(H,18,22);1H
InChIKeyFZQANYPCKLDREC-UHFFFAOYSA-N
XLogP1.23
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]cycloheptane-1-carboxylate;hydrochloride
CID 119704565
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119830076
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
CID 79316456
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119815411
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119697525
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride (CID 119701259) is methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride is COC(=O)C1(NC(=O)c2cn(C3CCNCC3)nn2)CCCCC1.Cl.
What is the InChIKey of methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is FZQANYPCKLDREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3.ClH/c1-24-15(23)16(7-3-2-4-8-16)18-14(22)13-11-21(20-19-13)12-5-9-17-10-6-12;/h11-12,17H,2-10H2,1H3,(H,18,22);1H.
What are the key properties of methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride?
methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 119701259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).