2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide

C33H41N5O5 — CID 21303292

IUPAC2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide
SMILESCCCC(=O)C1(c2ccccc2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C(Cc2cnc[nH]2)NC(C)=O)CC1
InChIInChI=1S/C33H41N5O5/c1-4-8-30(40)33(25-9-6-5-7-10-25)15-17-38(18-16-33)32(42)29(19-24-11-13-27(43-3)14-12-24)37-31(41)28(36-23(2)39)20-26-21-34-22-35-26/h5-7,9-14,21-22,28-29H,4,8,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,41)
InChIKeyLGKJAWXHTMWMPF-UHFFFAOYSA-N
MW587.72 g/mol
LogP3.12
Rot. Bonds13

About 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide

2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 21303292) has the molecular formula C33H41N5O5 and a molecular weight of 587.72 g/mol. Its IUPAC name is 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID21303292
Molecular FormulaC33H41N5O5
Molecular Weight587.72 g/mol
Exact Mass587.31
IUPAC Name2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide
SMILESCCCC(=O)C1(c2ccccc2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C(Cc2cnc[nH]2)NC(C)=O)CC1
InChIInChI=1S/C33H41N5O5/c1-4-8-30(40)33(25-9-6-5-7-10-25)15-17-38(18-16-33)32(42)29(19-24-11-13-27(43-3)14-12-24)37-31(41)28(36-23(2)39)20-26-21-34-22-35-26/h5-7,9-14,21-22,28-29H,4,8,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,41)
InChIKeyLGKJAWXHTMWMPF-UHFFFAOYSA-N
XLogP3.12
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.72
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide 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

(2S)-N-[(2S)-1-(4-butanoyl-4-phenylcyclohexyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)-2-(methanesulfonamido)propanamide
CID 11467720
tert-butyl N-[(2R)-1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 11124040
N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide
CID 21303344
3-[4-ethyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]propanoic acid
CID 71603862
ethyl 4-ethyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate
CID 46196002
(2S)-2-acetamido-3-(1H-imidazol-5-yl)-N-[(2S)-1-(6-methyl-2-methylidenespiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]propanamide
CID 142167742
2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide
CID 66988138
3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide
CID 76732489
2-[[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid
CID 21303285
2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 23277320
1-[2-(1H-imidazol-5-yl)ethyl]-3-[3-(4-methoxyphenyl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]urea
CID 46195446
N-[(2R)-1-[3-(3-fluorophenyl)-3-propylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 138403865

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide (CID 21303292) is 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide is CCCC(=O)C1(c2ccccc2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C(Cc2cnc[nH]2)NC(C)=O)CC1.
What is the InChIKey of 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is LGKJAWXHTMWMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O5/c1-4-8-30(40)33(25-9-6-5-7-10-25)15-17-38(18-16-33)32(42)29(19-24-11-13-27(43-3)14-12-24)37-31(41)28(36-23(2)39)20-26-21-34-22-35-26/h5-7,9-14,21-22,28-29H,4,8,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,41).
What are the key properties of 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide?
2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 587.72 g/mol, XLogP of 3.12, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 21303292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).