2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone

C19H25ClN2O2 — CID 46295282

IUPAC2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)c2ccccc2Cl)CC1)N1CCCCC1
InChIInChI=1S/C19H25ClN2O2/c20-17-7-3-2-6-16(17)19(24)22-12-8-15(9-13-22)14-18(23)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyIHGWEBORWFYLTL-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.59
Rot. Bonds3

About 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone

2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone (PubChem CID 46295282) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
PubChem CID46295282
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)c2ccccc2Cl)CC1)N1CCCCC1
InChIInChI=1S/C19H25ClN2O2/c20-17-7-3-2-6-16(17)19(24)22-12-8-15(9-13-22)14-18(23)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyIHGWEBORWFYLTL-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
2-(1-aminocyclobutyl)-1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 91659714
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
[4-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150391
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887514
2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887521
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone (CID 46295282) is 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone is O=C(CC1CCN(C(=O)c2ccccc2Cl)CC1)N1CCCCC1.
What is the InChIKey of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone?
The InChIKey is IHGWEBORWFYLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-17-7-3-2-6-16(17)19(24)22-12-8-15(9-13-22)14-18(23)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2.
What are the key properties of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone?
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone has a molecular weight of 348.87 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 46295282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).