1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C21H31ClN4O3 — CID 78896229

IUPAC1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H31ClN4O3/c1-15(2)25(4)21(29)16-8-10-26(11-9-16)20(28)14-24(3)13-19(27)23-18-7-5-6-17(22)12-18/h5-7,12,15-16H,8-11,13-14H2,1-4H3,(H,23,27)
InChIKeyVYPUIAJKQANQRC-UHFFFAOYSA-N
MW422.96 g/mol
LogP2.32
Rot. Bonds7

About 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 78896229) has the molecular formula C21H31ClN4O3 and a molecular weight of 422.96 g/mol. Its IUPAC name is 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID78896229
Molecular FormulaC21H31ClN4O3
Molecular Weight422.96 g/mol
Exact Mass422.21
IUPAC Name1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H31ClN4O3/c1-15(2)25(4)21(29)16-8-10-26(11-9-16)20(28)14-24(3)13-19(27)23-18-7-5-6-17(22)12-18/h5-7,12,15-16H,8-11,13-14H2,1-4H3,(H,23,27)
InChIKeyVYPUIAJKQANQRC-UHFFFAOYSA-N
XLogP2.32
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719168
N-(3-chlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]acetamide
CID 38131317
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
N-(3-chlorophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 60509085
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119914969
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
N-(3-chlorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46602371
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 37128973

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 78896229) is 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(C(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is VYPUIAJKQANQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN4O3/c1-15(2)25(4)21(29)16-8-10-26(11-9-16)20(28)14-24(3)13-19(27)23-18-7-5-6-17(22)12-18/h5-7,12,15-16H,8-11,13-14H2,1-4H3,(H,23,27).
What are the key properties of 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 78896229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).