(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C21H32N4O3 — CID 8686992

IUPAC(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H32N4O3/c1-16(20(26)23-21(27)22-17-8-4-3-5-9-17)24-12-14-25(15-13-24)18-10-6-7-11-19(18)28-2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H2,22,23,26,27)/t16-/m0/s1
InChIKeyUYEIQJUEWLFPGK-INIZCTEOSA-N
MW388.51 g/mol
LogP2.36
Rot. Bonds5

About (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 8686992) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID8686992
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H32N4O3/c1-16(20(26)23-21(27)22-17-8-4-3-5-9-17)24-12-14-25(15-13-24)18-10-6-7-11-19(18)28-2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H2,22,23,26,27)/t16-/m0/s1
InChIKeyUYEIQJUEWLFPGK-INIZCTEOSA-N
XLogP2.36
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8704500
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249253
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436374
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 8686992) is (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is UYEIQJUEWLFPGK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-16(20(26)23-21(27)22-17-8-4-3-5-9-17)24-12-14-25(15-13-24)18-10-6-7-11-19(18)28-2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H2,22,23,26,27)/t16-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 8686992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).