N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide

C13H23N3O2 — CID 142159188

IUPACN-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide
SMILESC=C(CC)N(C)C(=O)CN1CCC[C@H](NC)C1=O
InChIInChI=1S/C13H23N3O2/c1-5-10(2)15(4)12(17)9-16-8-6-7-11(14-3)13(16)18/h11,14H,2,5-9H2,1,3-4H3/t11-/m0/s1
InChIKeyKAPIYKDNEFUUIH-NSHDSACASA-N
MW253.35 g/mol
LogP0.58
Rot. Bonds5

About N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide

N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide (PubChem CID 142159188) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide
PubChem CID142159188
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide
SMILESC=C(CC)N(C)C(=O)CN1CCC[C@H](NC)C1=O
InChIInChI=1S/C13H23N3O2/c1-5-10(2)15(4)12(17)9-16-8-6-7-11(14-3)13(16)18/h11,14H,2,5-9H2,1,3-4H3/t11-/m0/s1
InChIKeyKAPIYKDNEFUUIH-NSHDSACASA-N
XLogP0.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide with MolForge

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Related Compounds

(s)-2-amino-N-((s)-2-oxopiperidin-3-yl)propenamide
CID 138393122
N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide
CID 20632774
2-Amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
CID 23590684
2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide
CID 58276799
(4R,7S)-4-methyl-10-methylidene-7-(propan-2-ylamino)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one
CID 59033215
2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 59072714
4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one
CID 59730870
N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide
CID 59958588
(4S)-2-[(2R)-butan-2-yl]-7-methylidene-4-(propan-2-ylamino)-2-aza-1-azanidacycloheptan-3-one;yttrium
CID 60104946
N-ethyl-2-(2-oxopiperidin-1-yl)propanamide
CID 68574451
3,6-Di(butan-2-yl)-5-methylidenepiperazin-2-one
CID 70648150
3,6-Bis(4-aminobutyl)-5-methylidenepiperazin-2-one
CID 70648297

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide?
The IUPAC name of N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide (CID 142159188) is N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide.
What is the SMILES notation for N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide?
The canonical SMILES for N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide is C=C(CC)N(C)C(=O)CN1CCC[C@H](NC)C1=O.
What is the InChIKey of N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide?
The InChIKey is KAPIYKDNEFUUIH-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-10(2)15(4)12(17)9-16-8-6-7-11(14-3)13(16)18/h11,14H,2,5-9H2,1,3-4H3/t11-/m0/s1.
What are the key properties of N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide?
N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide is sourced from PubChem (CID 142159188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).