N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

C14H23N5O2 — CID 106134225

IUPACN-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H23N5O2/c20-12-2-1-10(7-12)8-16-14(21)13-9-19(18-17-13)11-3-5-15-6-4-11/h9-12,15,20H,1-8H2,(H,16,21)
InChIKeyGRPIFWFAEQTELE-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.09
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 106134225) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID106134225
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H23N5O2/c20-12-2-1-10(7-12)8-16-14(21)13-9-19(18-17-13)11-3-5-15-6-4-11/h9-12,15,20H,1-8H2,(H,16,21)
InChIKeyGRPIFWFAEQTELE-UHFFFAOYSA-N
XLogP0.09
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
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-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119898869
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(1,4-dithian-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 115739489
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 106134225) is N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCC1CCC(O)C1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GRPIFWFAEQTELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c20-12-2-1-10(7-12)8-16-14(21)13-9-19(18-17-13)11-3-5-15-6-4-11/h9-12,15,20H,1-8H2,(H,16,21).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 106134225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).