N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide

C14H22N2O3 — CID 158850776

IUPACN-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide
SMILESC=C1CCC(CC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N1
InChIInChI=1S/C14H22N2O3/c1-8(2)13(16-10(4)17)12(18)7-11-6-5-9(3)15-14(11)19/h8,11,13H,3,5-7H2,1-2,4H3,(H,15,19)(H,16,17)/t11?,13-/m0/s1
InChIKeyDIFARAQSGIPBHT-YUZLPWPTSA-N
MW266.34 g/mol
LogP1.15
Rot. Bonds5

About N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide

N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide (PubChem CID 158850776) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide
PubChem CID158850776
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide
SMILESC=C1CCC(CC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N1
InChIInChI=1S/C14H22N2O3/c1-8(2)13(16-10(4)17)12(18)7-11-6-5-9(3)15-14(11)19/h8,11,13H,3,5-7H2,1-2,4H3,(H,15,19)(H,16,17)/t11?,13-/m0/s1
InChIKeyDIFARAQSGIPBHT-YUZLPWPTSA-N
XLogP1.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
CID 89131708
1-[(3S)-1-[(3E,5S,8R)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-3-en-8-yl]-4-methyl-2-oxopentan-3-yl]-3-methylurea
CID 159210926
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
benzyl N-[1-(7,8-dioxo-4,5,6,9,10,11-hexahydrothieno[3,4-d]azecin-9-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 152807149
benzyl N-[1-(2,3-dioxoazocan-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159420540
N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide
CID 60636396
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
2,2-dimethylpropyl N-[1-(5,6-dioxo-11-thia-4,12-diazabicyclo[8.2.1]trideca-1(12),10(13)-dien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 153017872
2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 147516456
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
benzyl N-[1-(5,6-dioxo-4,11,12-triazabicyclo[8.2.1]trideca-1(12),10(13)-dien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 158069653
2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 115362386

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide?
The IUPAC name of N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide (CID 158850776) is N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide?
The canonical SMILES for N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide is C=C1CCC(CC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N1.
What is the InChIKey of N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide?
The InChIKey is DIFARAQSGIPBHT-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-8(2)13(16-10(4)17)12(18)7-11-6-5-9(3)15-14(11)19/h8,11,13H,3,5-7H2,1-2,4H3,(H,15,19)(H,16,17)/t11?,13-/m0/s1.
What are the key properties of N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide?
N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxopentan-3-yl]acetamide is sourced from PubChem (CID 158850776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).