(3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C12H21N5O2 — CID 95046033

IUPAC(3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC[C@H](O)C2)nn1C(C)C
InChIInChI=1S/C12H21N5O2/c1-8(2)17-9(3)13-11(15-17)14-12(19)16-6-4-5-10(18)7-16/h8,10,18H,4-7H2,1-3H3,(H,14,15,19)/t10-/m0/s1
InChIKeyWDEHTUJFKHSZHP-JTQLQIEISA-N
MW267.33 g/mol
LogP1.16
Rot. Bonds2

About (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

(3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 95046033) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID95046033
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name(3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC[C@H](O)C2)nn1C(C)C
InChIInChI=1S/C12H21N5O2/c1-8(2)17-9(3)13-11(15-17)14-12(19)16-6-4-5-10(18)7-16/h8,10,18H,4-7H2,1-3H3,(H,14,15,19)/t10-/m0/s1
InChIKeyWDEHTUJFKHSZHP-JTQLQIEISA-N
XLogP1.16
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 111422829
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide
CID 99791560
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47223501
2-(3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110906659
3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 111841012
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
CID 107224947
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 95046033) is (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1nc(NC(=O)N2CCC[C@H](O)C2)nn1C(C)C.
What is the InChIKey of (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is WDEHTUJFKHSZHP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)17-9(3)13-11(15-17)14-12(19)16-6-4-5-10(18)7-16/h8,10,18H,4-7H2,1-3H3,(H,14,15,19)/t10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
(3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95046033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).