(4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide

C23H34N4O4 — CID 143735229

IUPAC(4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide
SMILESC=C(Nc1ccc(OC)cc1C(=O)N1C[C@H](C)C[C@H](C)C1)[C@H](CCC(N)=O)NC(C)=O
InChIInChI=1S/C23H34N4O4/c1-14-10-15(2)13-27(12-14)23(30)19-11-18(31-5)6-7-21(19)25-16(3)20(26-17(4)28)8-9-22(24)29/h6-7,11,14-15,20,25H,3,8-10,12-13H2,1-2,4-5H3,(H2,24,29)(H,26,28)/t14-,15+,20-/m0/s1
InChIKeyJLLYGSQWINNYLU-MDOVXXIYSA-N
MW430.55 g/mol
LogP2.51
Rot. Bonds9

About (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide

(4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide (PubChem CID 143735229) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide.

Molecular Properties

Compound Name(4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide
PubChem CID143735229
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name(4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide
SMILESC=C(Nc1ccc(OC)cc1C(=O)N1C[C@H](C)C[C@H](C)C1)[C@H](CCC(N)=O)NC(C)=O
InChIInChI=1S/C23H34N4O4/c1-14-10-15(2)13-27(12-14)23(30)19-11-18(31-5)6-7-21(19)25-16(3)20(26-17(4)28)8-9-22(24)29/h6-7,11,14-15,20,25H,3,8-10,12-13H2,1-2,4-5H3,(H2,24,29)(H,26,28)/t14-,15+,20-/m0/s1
InChIKeyJLLYGSQWINNYLU-MDOVXXIYSA-N
XLogP2.51
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide with MolForge

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Launch Full Analysis

Related Compounds

2-acetamido-N-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]butanamide
CID 69231662
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
4-[2-[1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethenyl]-4-methoxyanilino]-N,N-dimethylpent-4-enamide
CID 89247082
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
N-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-oxobutanamide
CID 143735227
2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide
CID 69229535
4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one
CID 75796712
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
4-(2-amino-2-oxoethoxy)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,5-dimethoxybenzamide
CID 55677040
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-5-methoxybenzamide
CID 112846199
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide
CID 17433247
3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55677286

Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide?
The IUPAC name of (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide (CID 143735229) is (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide.
What is the SMILES notation for (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide?
The canonical SMILES for (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide is C=C(Nc1ccc(OC)cc1C(=O)N1C[C@H](C)C[C@H](C)C1)[C@H](CCC(N)=O)NC(C)=O.
What is the InChIKey of (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide?
The InChIKey is JLLYGSQWINNYLU-MDOVXXIYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-14-10-15(2)13-27(12-14)23(30)19-11-18(31-5)6-7-21(19)25-16(3)20(26-17(4)28)8-9-22(24)29/h6-7,11,14-15,20,25H,3,8-10,12-13H2,1-2,4-5H3,(H2,24,29)(H,26,28)/t14-,15+,20-/m0/s1.
What are the key properties of (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide?
(4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide has a molecular weight of 430.55 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetamido-5-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methoxyanilino]hex-5-enamide is sourced from PubChem (CID 143735229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).