(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide

C18H33N3O2 — CID 142558293

IUPAC(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
SMILESC=C(C[C@H](NCC(=O)C(C)C)C(=O)NCC)N1CCCC[C@@H]1C
InChIInChI=1S/C18H33N3O2/c1-6-19-18(23)16(20-12-17(22)13(2)3)11-15(5)21-10-8-7-9-14(21)4/h13-14,16,20H,5-12H2,1-4H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyKVSUBORWVMLSDX-HOCLYGCPSA-N
MW323.48 g/mol
LogP2.08
Rot. Bonds9

About (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide

(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide (PubChem CID 142558293) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
PubChem CID142558293
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
SMILESC=C(C[C@H](NCC(=O)C(C)C)C(=O)NCC)N1CCCC[C@@H]1C
InChIInChI=1S/C18H33N3O2/c1-6-19-18(23)16(20-12-17(22)13(2)3)11-15(5)21-10-8-7-9-14(21)4/h13-14,16,20H,5-12H2,1-4H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyKVSUBORWVMLSDX-HOCLYGCPSA-N
XLogP2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-N,3-dimethyl-2-[1-[1-(3-methylbutan-2-yl)piperidin-2-yl]ethenylamino]butanamide
CID 68216285
1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide
CID 123789006
N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 139516962
N-[2-[[2-[[2-[[4-(cyclohexylamino)-3,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide;N,N-dimethylacetamide;propane
CID 141910864
N-[4-[(3S)-2-methylidene-5-oxo-9-prop-2-enyl-1-propyl-1,4,9-triazaspiro[5.5]undecan-3-yl]butyl]acetamide
CID 142066823
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide;molecular hydrogen
CID 142558098
(2S)-2-[(2-cyclopropylacetyl)amino]-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
CID 142558125
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen
CID 142558253
ethane;(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;molecular hydrogen
CID 142558292
(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
CID 142558345
acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane
CID 143394162
(Z)-4,5-diamino-2-(heptadec-1-en-2-ylamino)-N-[(2S)-1-[(2-methyl-4-oxopentan-3-yl)amino]-1-oxopropan-2-yl]pent-4-enamide
CID 143986772

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide?
The IUPAC name of (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide (CID 142558293) is (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide.
What is the SMILES notation for (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide?
The canonical SMILES for (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide is C=C(C[C@H](NCC(=O)C(C)C)C(=O)NCC)N1CCCC[C@@H]1C.
What is the InChIKey of (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide?
The InChIKey is KVSUBORWVMLSDX-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-6-19-18(23)16(20-12-17(22)13(2)3)11-15(5)21-10-8-7-9-14(21)4/h13-14,16,20H,5-12H2,1-4H3,(H,19,23)/t14-,16-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide?
(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide has a molecular weight of 323.48 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide is sourced from PubChem (CID 142558293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).