N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide

C20H37N3O3 — CID 95217540

IUPACN-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C20H37N3O3/c1-19(2,3)22-17(24)14-21-15-20(26)11-7-12-23(18(20)25)13-10-16-8-5-4-6-9-16/h16,21,26H,4-15H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyIJOKLMZEILTASB-FQEVSTJZSA-N
MW367.53 g/mol
LogP1.81
Rot. Bonds7

About N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide

N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide (PubChem CID 95217540) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
PubChem CID95217540
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC NameN-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C20H37N3O3/c1-19(2,3)22-17(24)14-21-15-20(26)11-7-12-23(18(20)25)13-10-16-8-5-4-6-9-16/h16,21,26H,4-15H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyIJOKLMZEILTASB-FQEVSTJZSA-N
XLogP1.81
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide with MolForge

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Related Compounds

1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-hydroxy-1-methylpiperidin-4-yl)methylamino]methyl]piperidin-2-one
CID 56738972
1-(2-cyclohexylethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45235783
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 95205891
2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56739031
(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 95212679
3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
CID 56748802
5-[[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-N-methylfuran-2-carboxamide
CID 95216293
N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide
CID 56746288
1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 56742524
1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
CID 56741111
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
CID 25305646
5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 56758642

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide (CID 95217540) is N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide is CC(C)(C)NC(=O)CNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O.
What is the InChIKey of N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide?
The InChIKey is IJOKLMZEILTASB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-19(2,3)22-17(24)14-21-15-20(26)11-7-12-23(18(20)25)13-10-16-8-5-4-6-9-16/h16,21,26H,4-15H2,1-3H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide?
N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide has a molecular weight of 367.53 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide is sourced from PubChem (CID 95217540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).