N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide

C26H31ClN2O4 — CID 55950662

IUPACN-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H31ClN2O4/c1-3-4-15-28(2)26(32)21-13-16-29(17-14-21)24(30)18-33-23-11-7-20(8-12-23)25(31)19-5-9-22(27)10-6-19/h5-12,21H,3-4,13-18H2,1-2H3
InChIKeySLVKZRARRUSKLB-UHFFFAOYSA-N
MW471.00 g/mol
LogP4.45
Rot. Bonds9

About N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55950662) has the molecular formula C26H31ClN2O4 and a molecular weight of 471.00 g/mol. Its IUPAC name is N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide
PubChem CID55950662
Molecular FormulaC26H31ClN2O4
Molecular Weight471.00 g/mol
Exact Mass470.20
IUPAC NameN-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H31ClN2O4/c1-3-4-15-28(2)26(32)21-13-16-29(17-14-21)24(30)18-33-23-11-7-20(8-12-23)25(31)19-5-9-22(27)10-6-19/h5-12,21H,3-4,13-18H2,1-2H3
InChIKeySLVKZRARRUSKLB-UHFFFAOYSA-N
XLogP4.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 55949891
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
1-[4-(1-butylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 55887149
N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide
CID 55860372
2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 110442714
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630456
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide (CID 55950662) is N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is SLVKZRARRUSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O4/c1-3-4-15-28(2)26(32)21-13-16-29(17-14-21)24(30)18-33-23-11-7-20(8-12-23)25(31)19-5-9-22(27)10-6-19/h5-12,21H,3-4,13-18H2,1-2H3.
What are the key properties of N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 471.00 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55950662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).