4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide

C25H32ClN3O3 — CID 55428317

IUPAC4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C25H32ClN3O3/c1-2-3-16-32-23-10-6-20(7-11-23)25(31)27-17-24(30)28-22-12-14-29(15-13-22)18-19-4-8-21(26)9-5-19/h4-11,22H,2-3,12-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyXWCLLKSWFDVXJS-UHFFFAOYSA-N
MW458.00 g/mol
LogP4.03
Rot. Bonds10

About 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide

4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 55428317) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID55428317
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C25H32ClN3O3/c1-2-3-16-32-23-10-6-20(7-11-23)25(31)27-17-24(30)28-22-12-14-29(15-13-22)18-19-4-8-21(26)9-5-19/h4-11,22H,2-3,12-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyXWCLLKSWFDVXJS-UHFFFAOYSA-N
XLogP4.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 8590133
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
4-butoxy-N-[2-[[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 97027635
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 24504193
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18121101
3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 17483579

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 55428317) is 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is XWCLLKSWFDVXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-2-3-16-32-23-10-6-20(7-11-23)25(31)27-17-24(30)28-22-12-14-29(15-13-22)18-19-4-8-21(26)9-5-19/h4-11,22H,2-3,12-18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 458.00 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55428317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).