2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide

C27H41ClN4O2 — CID 46295293

IUPAC2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide
SMILESO=C(CC1CCN(C(=O)c2ccccc2Cl)CC1)NCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C27H41ClN4O2/c28-25-10-5-4-9-24(25)27(34)32-15-11-22(12-16-32)21-26(33)29-13-6-14-30-17-19-31(20-18-30)23-7-2-1-3-8-23/h4-5,9-10,22-23H,1-3,6-8,11-21H2,(H,29,33)
InChIKeyYNYOQELYZQPIDP-UHFFFAOYSA-N
MW489.10 g/mol
LogP4.04
Rot. Bonds8

About 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide

2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide (PubChem CID 46295293) has the molecular formula C27H41ClN4O2 and a molecular weight of 489.10 g/mol. Its IUPAC name is 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide
PubChem CID46295293
Molecular FormulaC27H41ClN4O2
Molecular Weight489.10 g/mol
Exact Mass488.29
IUPAC Name2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide
SMILESO=C(CC1CCN(C(=O)c2ccccc2Cl)CC1)NCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C27H41ClN4O2/c28-25-10-5-4-9-24(25)27(34)32-15-11-22(12-16-32)21-26(33)29-13-6-14-30-17-19-31(20-18-30)23-7-2-1-3-8-23/h4-5,9-10,22-23H,1-3,6-8,11-21H2,(H,29,33)
InChIKeyYNYOQELYZQPIDP-UHFFFAOYSA-N
XLogP4.04
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.10
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46295281
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 46295224
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 50768066
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 53118995
[4-[4-[(4-aminophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 154528244
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46295063
1-(3-chloro-2-methylphenyl)-3-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]urea
CID 23609245
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide (CID 46295293) is 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide is O=C(CC1CCN(C(=O)c2ccccc2Cl)CC1)NCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide?
The InChIKey is YNYOQELYZQPIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41ClN4O2/c28-25-10-5-4-9-24(25)27(34)32-15-11-22(12-16-32)21-26(33)29-13-6-14-30-17-19-31(20-18-30)23-7-2-1-3-8-23/h4-5,9-10,22-23H,1-3,6-8,11-21H2,(H,29,33).
What are the key properties of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide?
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide has a molecular weight of 489.10 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 46295293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).