N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide

C20H31ClN4O2 — CID 24612951

IUPACN-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)NC(c2ccc(Cl)cc2)C(C)C)CC1
InChIInChI=1S/C20H31ClN4O2/c1-4-9-22-18(26)14-24-10-12-25(13-11-24)20(27)23-19(15(2)3)16-5-7-17(21)8-6-16/h5-8,15,19H,4,9-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyFGZVAJYAISWZRW-UHFFFAOYSA-N
MW394.95 g/mol
LogP2.89
Rot. Bonds7

About N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide

N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide (PubChem CID 24612951) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
PubChem CID24612951
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC NameN-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)NC(c2ccc(Cl)cc2)C(C)C)CC1
InChIInChI=1S/C20H31ClN4O2/c1-4-9-22-18(26)14-24-10-12-25(13-11-24)20(27)23-19(15(2)3)16-5-7-17(21)8-6-16/h5-8,15,19H,4,9-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyFGZVAJYAISWZRW-UHFFFAOYSA-N
XLogP2.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propylacetamide
CID 8636945
4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide
CID 51929849
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86838472
N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 41287206
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 29230660
2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
CID 134014539
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014545
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 60718649
N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 17446865
2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide
CID 55455984

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide (CID 24612951) is N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide is CCCNC(=O)CN1CCN(C(=O)NC(c2ccc(Cl)cc2)C(C)C)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is FGZVAJYAISWZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O2/c1-4-9-22-18(26)14-24-10-12-25(13-11-24)20(27)23-19(15(2)3)16-5-7-17(21)8-6-16/h5-8,15,19H,4,9-14H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 394.95 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 24612951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).