1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid

C15H18ClNO3 — CID 63124878

IUPAC1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClNO3/c1-2-15(14(19)20)6-8-17(9-7-15)13(18)11-4-3-5-12(16)10-11/h3-5,10H,2,6-9H2,1H3,(H,19,20)
InChIKeyCIDULNVFIZTUQJ-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.06
Rot. Bonds3

About 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid

1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63124878) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID63124878
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClNO3/c1-2-15(14(19)20)6-8-17(9-7-15)13(18)11-4-3-5-12(16)10-11/h3-5,10H,2,6-9H2,1H3,(H,19,20)
InChIKeyCIDULNVFIZTUQJ-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
1-[3-(dimethylamino)benzoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144613
4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106752604
1-(3-chloro-4-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 82875281
1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63145655
1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125171
1-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 65066590
(3-chlorophenyl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 111456862
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid (CID 63124878) is 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is CIDULNVFIZTUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-2-15(14(19)20)6-8-17(9-7-15)13(18)11-4-3-5-12(16)10-11/h3-5,10H,2,6-9H2,1H3,(H,19,20).
What are the key properties of 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid?
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).