1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one

C17H29N5O2 — CID 45203879

IUPAC1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one
SMILESCc1nc(CNCC2(O)CCCN(CC3CCCCC3)C2=O)n[nH]1
InChIInChI=1S/C17H29N5O2/c1-13-19-15(21-20-13)10-18-12-17(24)8-5-9-22(16(17)23)11-14-6-3-2-4-7-14/h14,18,24H,2-12H2,1H3,(H,19,20,21)
InChIKeySVCSLUUKNPFZQG-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.14
Rot. Bonds6

About 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one

1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one (PubChem CID 45203879) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one
PubChem CID45203879
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one
SMILESCc1nc(CNCC2(O)CCCN(CC3CCCCC3)C2=O)n[nH]1
InChIInChI=1S/C17H29N5O2/c1-13-19-15(21-20-13)10-18-12-17(24)8-5-9-22(16(17)23)11-14-6-3-2-4-7-14/h14,18,24H,2-12H2,1H3,(H,19,20,21)
InChIKeySVCSLUUKNPFZQG-UHFFFAOYSA-N
XLogP1.14
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one with MolForge

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Related Compounds

1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]piperidin-2-one
CID 26390914
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
CID 25305646
1-(cyclobutylmethyl)-3-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 45181275
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42516603
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622
(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 26397324
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[[2-(3-methylthiophen-2-yl)ethylamino]methyl]piperidin-2-one
CID 95198454
(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
CID 26327978
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 29021771
(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42096017
4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 45208360

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one (CID 45203879) is 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one is Cc1nc(CNCC2(O)CCCN(CC3CCCCC3)C2=O)n[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one?
The InChIKey is SVCSLUUKNPFZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13-19-15(21-20-13)10-18-12-17(24)8-5-9-22(16(17)23)11-14-6-3-2-4-7-14/h14,18,24H,2-12H2,1H3,(H,19,20,21).
What are the key properties of 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one?
1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 45203879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).