N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide

C19H35N3O2 — CID 142558254

IUPACN-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide
SMILESC=C(C[C@H](NC(=O)CCC(C)C)C(=O)NCC)N1CCCC[C@@H]1C
InChIInChI=1S/C19H35N3O2/c1-6-20-19(24)17(21-18(23)11-10-14(2)3)13-16(5)22-12-8-7-9-15(22)4/h14-15,17H,5-13H2,1-4H3,(H,20,24)(H,21,23)/t15-,17-/m0/s1
InChIKeyKWFOCNGZNPGSSU-RDJZCZTQSA-N
MW337.51 g/mol
LogP2.82
Rot. Bonds9

About N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide

N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide (PubChem CID 142558254) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide
PubChem CID142558254
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide
SMILESC=C(C[C@H](NC(=O)CCC(C)C)C(=O)NCC)N1CCCC[C@@H]1C
InChIInChI=1S/C19H35N3O2/c1-6-20-19(24)17(21-18(23)11-10-14(2)3)13-16(5)22-12-8-7-9-15(22)4/h14-15,17H,5-13H2,1-4H3,(H,20,24)(H,21,23)/t15-,17-/m0/s1
InChIKeyKWFOCNGZNPGSSU-RDJZCZTQSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide?
The IUPAC name of N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide (CID 142558254) is N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide?
The canonical SMILES for N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide is C=C(C[C@H](NC(=O)CCC(C)C)C(=O)NCC)N1CCCC[C@@H]1C.
What is the InChIKey of N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide?
The InChIKey is KWFOCNGZNPGSSU-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-6-20-19(24)17(21-18(23)11-10-14(2)3)13-16(5)22-12-8-7-9-15(22)4/h14-15,17H,5-13H2,1-4H3,(H,20,24)(H,21,23)/t15-,17-/m0/s1.
What are the key properties of N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide?
N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide has a molecular weight of 337.51 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide is sourced from PubChem (CID 142558254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).