1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

C20H28ClN3O2 — CID 120739124

IUPAC1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCNCC2c2ccccc2Cl)C1
InChIInChI=1S/C20H28ClN3O2/c1-2-6-19(25)23-11-5-7-15(14-23)20(26)24-12-10-22-13-18(24)16-8-3-4-9-17(16)21/h3-4,8-9,15,18,22H,2,5-7,10-14H2,1H3
InChIKeyONRNOPSREZOOIY-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.85
Rot. Bonds4

About 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (PubChem CID 120739124) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
PubChem CID120739124
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCNCC2c2ccccc2Cl)C1
InChIInChI=1S/C20H28ClN3O2/c1-2-6-19(25)23-11-5-7-15(14-23)20(26)24-12-10-22-13-18(24)16-8-3-4-9-17(16)21/h3-4,8-9,15,18,22H,2,5-7,10-14H2,1H3
InChIKeyONRNOPSREZOOIY-UHFFFAOYSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 120739391
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757324
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 120738310
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120738623

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (CID 120739124) is 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(C(=O)N2CCNCC2c2ccccc2Cl)C1.
What is the InChIKey of 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The InChIKey is ONRNOPSREZOOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-2-6-19(25)23-11-5-7-15(14-23)20(26)24-12-10-22-13-18(24)16-8-3-4-9-17(16)21/h3-4,8-9,15,18,22H,2,5-7,10-14H2,1H3.
What are the key properties of 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one has a molecular weight of 377.92 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120739124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).