N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide

C21H23ClN2O3 — CID 108554888

IUPACN-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O3/c22-19-9-5-4-8-18(19)21(26)24-13-10-16(11-14-24)23-20(25)12-15-27-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,25)
InChIKeyICUXQZSZFPYJBK-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.53
Rot. Bonds6

About N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide

N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide (PubChem CID 108554888) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
PubChem CID108554888
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O3/c22-19-9-5-4-8-18(19)21(26)24-13-10-16(11-14-24)23-20(25)12-15-27-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,25)
InChIKeyICUXQZSZFPYJBK-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide
CID 108554961
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553068
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110365468
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
4-phenoxy-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553607
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide (CID 108554888) is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NC1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide?
The InChIKey is ICUXQZSZFPYJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-19-9-5-4-8-18(19)21(26)24-13-10-16(11-14-24)23-20(25)12-15-27-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,25).
What are the key properties of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide?
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide has a molecular weight of 386.88 g/mol, XLogP of 3.53, 6 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]-3-phenoxypropanamide is sourced from PubChem (CID 108554888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).