2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide

C19H28ClN3O — CID 46043602

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O/c1-15(19(24)21-17-7-3-2-4-8-17)22-10-12-23(13-11-22)18-9-5-6-16(20)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H,21,24)
InChIKeyYFJQWLCEIHDTIA-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.30
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide (PubChem CID 46043602) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
PubChem CID46043602
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O/c1-15(19(24)21-17-7-3-2-4-8-17)22-10-12-23(13-11-22)18-9-5-6-16(20)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H,21,24)
InChIKeyYFJQWLCEIHDTIA-UHFFFAOYSA-N
XLogP3.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 9442631
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 8512767
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
(2S)-N-(cyclopentylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459953
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430489
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide (CID 46043602) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide?
The InChIKey is YFJQWLCEIHDTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-15(19(24)21-17-7-3-2-4-8-17)22-10-12-23(13-11-22)18-9-5-6-16(20)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H,21,24).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide has a molecular weight of 349.91 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide is sourced from PubChem (CID 46043602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).