2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate

C20H17ClNO4- — CID 6983797

IUPAC2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)N1CCC(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H18ClNO4/c21-15-5-3-4-14(12-15)18(23)13-8-10-22(11-9-13)19(24)16-6-1-2-7-17(16)20(25)26/h1-7,12-13H,8-11H2,(H,25,26)/p-1
InChIKeyNKTZETZIWJZXBU-UHFFFAOYSA-M
MW370.81 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate

2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate (PubChem CID 6983797) has the molecular formula C20H17ClNO4- and a molecular weight of 370.81 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate
PubChem CID6983797
Molecular FormulaC20H17ClNO4-
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)N1CCC(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H18ClNO4/c21-15-5-3-4-14(12-15)18(23)13-8-10-22(11-9-13)19(24)16-6-1-2-7-17(16)20(25)26/h1-7,12-13H,8-11H2,(H,25,26)/p-1
InChIKeyNKTZETZIWJZXBU-UHFFFAOYSA-M
XLogP2.44
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
4-[4-(3-chlorobenzoyl)piperidin-1-yl]-4-oxobutanoate
CID 6985915
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 45202769
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
CID 155555471
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 1330917
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate?
The IUPAC name of 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate (CID 6983797) is 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate is O=C([O-])c1ccccc1C(=O)N1CCC(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate?
The InChIKey is NKTZETZIWJZXBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18ClNO4/c21-15-5-3-4-14(12-15)18(23)13-8-10-22(11-9-13)19(24)16-6-1-2-7-17(16)20(25)26/h1-7,12-13H,8-11H2,(H,25,26)/p-1.
What are the key properties of 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate?
2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate has a molecular weight of 370.81 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 6983797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).