2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one

C26H28ClN3O3 — CID 134797149

IUPAC2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(N3Cc4ccccc4C3=O)CC2)CC1
InChIInChI=1S/C26H28ClN3O3/c27-21-6-3-5-19(16-21)25(32)28-12-8-18(9-13-28)24(31)29-14-10-22(11-15-29)30-17-20-4-1-2-7-23(20)26(30)33/h1-7,16,18,22H,8-15,17H2
InChIKeyQUWCQKVUAPSFNH-UHFFFAOYSA-N
MW465.98 g/mol
LogP3.84
Rot. Bonds3

About 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one

2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one (PubChem CID 134797149) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
PubChem CID134797149
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC Name2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(N3Cc4ccccc4C3=O)CC2)CC1
InChIInChI=1S/C26H28ClN3O3/c27-21-6-3-5-19(16-21)25(32)28-12-8-18(9-13-28)24(31)29-14-10-22(11-15-29)30-17-20-4-1-2-7-23(20)26(30)33/h1-7,16,18,22H,8-15,17H2
InChIKeyQUWCQKVUAPSFNH-UHFFFAOYSA-N
XLogP3.84
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 119032218
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082608
6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one
CID 15656913
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703840

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one (CID 134797149) is 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one is O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(N3Cc4ccccc4C3=O)CC2)CC1.
What is the InChIKey of 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one?
The InChIKey is QUWCQKVUAPSFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c27-21-6-3-5-19(16-21)25(32)28-12-8-18(9-13-28)24(31)29-14-10-22(11-15-29)30-17-20-4-1-2-7-23(20)26(30)33/h1-7,16,18,22H,8-15,17H2.
What are the key properties of 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one?
2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one has a molecular weight of 465.98 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 134797149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).