1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one

C22H28ClN3O3 — CID 112767128

IUPAC1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CCN(C(=O)C2CC(=O)N(c3ccccc3Cl)C2)CC1)N1CCCCC1
InChIInChI=1S/C22H28ClN3O3/c23-18-6-2-3-7-19(18)26-15-17(14-20(26)27)22(29)25-12-8-16(9-13-25)21(28)24-10-4-1-5-11-24/h2-3,6-7,16-17H,1,4-5,8-15H2
InChIKeyQXCSWSQXLBOASR-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 112767128) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID112767128
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CCN(C(=O)C2CC(=O)N(c3ccccc3Cl)C2)CC1)N1CCCCC1
InChIInChI=1S/C22H28ClN3O3/c23-18-6-2-3-7-19(18)26-15-17(14-20(26)27)22(29)25-12-8-16(9-13-25)21(28)24-10-4-1-5-11-24/h2-3,6-7,16-17H,1,4-5,8-15H2
InChIKeyQXCSWSQXLBOASR-UHFFFAOYSA-N
XLogP2.94
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 32978569
(3S)-1-[(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703341
1-(2-chlorophenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43045456
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one
CID 113191077
ethyl 1-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 47005232
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
1-(2-chlorophenyl)-4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86958384
(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615751
(4S)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615752
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 112767128) is 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C(C1CCN(C(=O)C2CC(=O)N(c3ccccc3Cl)C2)CC1)N1CCCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QXCSWSQXLBOASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c23-18-6-2-3-7-19(18)26-15-17(14-20(26)27)22(29)25-12-8-16(9-13-25)21(28)24-10-4-1-5-11-24/h2-3,6-7,16-17H,1,4-5,8-15H2.
What are the key properties of 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 417.94 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 112767128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).