N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide

C23H27ClN2O3 — CID 108553068

IUPACN-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H27ClN2O3/c1-2-5-17-8-10-19(11-9-17)29-16-22(27)25-18-12-14-26(15-13-18)23(28)20-6-3-4-7-21(20)24/h3-4,6-11,18H,2,5,12-16H2,1H3,(H,25,27)
InChIKeyXDGCWPKZRQCBFM-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.09
Rot. Bonds7

About N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide

N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide (PubChem CID 108553068) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
PubChem CID108553068
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H27ClN2O3/c1-2-5-17-8-10-19(11-9-17)29-16-22(27)25-18-12-14-26(15-13-18)23(28)20-6-3-4-7-21(20)24/h3-4,6-11,18H,2,5,12-16H2,1H3,(H,25,27)
InChIKeyXDGCWPKZRQCBFM-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
N-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-(4-ethylphenoxy)acetamide
CID 86812515
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553085
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108553048
2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108561475
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide (CID 108553068) is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The InChIKey is XDGCWPKZRQCBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-2-5-17-8-10-19(11-9-17)29-16-22(27)25-18-12-14-26(15-13-18)23(28)20-6-3-4-7-21(20)24/h3-4,6-11,18H,2,5,12-16H2,1H3,(H,25,27).
What are the key properties of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide has a molecular weight of 414.93 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 108553068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).