2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide

C21H30Cl2N4O3 — CID 10238544

IUPAC2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC1CCN(CC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)CC1
InChIInChI=1S/C21H30Cl2N4O3/c1-15(28)25-17-4-6-26(7-5-17)14-21(29)24-11-18-13-27(8-9-30-18)12-16-2-3-19(22)20(23)10-16/h2-3,10,17-18H,4-9,11-14H2,1H3,(H,24,29)(H,25,28)/t18-/m0/s1
InChIKeyHYMRBRZZVKAJQH-SFHVURJKSA-N
MW457.40 g/mol
LogP1.91
Rot. Bonds7

About 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide

2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide (PubChem CID 10238544) has the molecular formula C21H30Cl2N4O3 and a molecular weight of 457.40 g/mol. Its IUPAC name is 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
PubChem CID10238544
Molecular FormulaC21H30Cl2N4O3
Molecular Weight457.40 g/mol
Exact Mass456.17
IUPAC Name2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC1CCN(CC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)CC1
InChIInChI=1S/C21H30Cl2N4O3/c1-15(28)25-17-4-6-26(7-5-17)14-21(29)24-11-18-13-27(8-9-30-18)12-16-2-3-19(22)20(23)10-16/h2-3,10,17-18H,4-9,11-14H2,1H3,(H,24,29)(H,25,28)/t18-/m0/s1
InChIKeyHYMRBRZZVKAJQH-SFHVURJKSA-N
XLogP1.91
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide 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-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6465678
N-[1''-(3,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-acetamide
CID 44399552
N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245045
N-(4-chlorobenzyl)-N'-[3-(4-morpholinyl)propyl]ethanediamide
CID 2172999
1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 46943772
US11685734, Example 278
CID 168474627
4-Morpholineacetamide, N-(p-chlorobenzyl)-alpha-methyl-, monohydrochloride
CID 121409
4-Morpholineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-
CID 3039075
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-
CID 3039077
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-2-methyl-
CID 3039078
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-3-methyl-
CID 3039079
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-4-methyl-
CID 3039080

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide (CID 10238544) is 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide is CC(=O)NC1CCN(CC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)CC1.
What is the InChIKey of 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is HYMRBRZZVKAJQH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30Cl2N4O3/c1-15(28)25-17-4-6-26(7-5-17)14-21(29)24-11-18-13-27(8-9-30-18)12-16-2-3-19(22)20(23)10-16/h2-3,10,17-18H,4-9,11-14H2,1H3,(H,24,29)(H,25,28)/t18-/m0/s1.
What are the key properties of 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide?
2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 457.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 10238544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).