(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

C19H23ClN2O3 — CID 97112468

IUPAC(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O3/c20-16-3-1-2-4-17(16)25-15-7-9-21(10-8-15)19(24)13-11-18(23)22(12-13)14-5-6-14/h1-4,13-15H,5-12H2/t13-/m1/s1
InChIKeyUWEDYMDQQBPBDN-CYBMUJFWSA-N
MW362.86 g/mol
LogP2.72
Rot. Bonds4

About (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 97112468) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID97112468
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O3/c20-16-3-1-2-4-17(16)25-15-7-9-21(10-8-15)19(24)13-11-18(23)22(12-13)14-5-6-14/h1-4,13-15H,5-12H2/t13-/m1/s1
InChIKeyUWEDYMDQQBPBDN-CYBMUJFWSA-N
XLogP2.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
1-cyclopropyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70714333
4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 126951467
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
(4S)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 94178191
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110346141
1-cyclopropyl-4-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 70722242
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (CID 97112468) is (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is UWEDYMDQQBPBDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c20-16-3-1-2-4-17(16)25-15-7-9-21(10-8-15)19(24)13-11-18(23)22(12-13)14-5-6-14/h1-4,13-15H,5-12H2/t13-/m1/s1.
What are the key properties of (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 362.86 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 97112468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).