(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one

C18H23ClN2O3 — CID 97141344

IUPAC(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)CC1=O
InChIInChI=1S/C18H23ClN2O3/c1-2-20-12-13(11-17(20)22)18(23)21-9-7-16(8-10-21)24-15-5-3-14(19)4-6-15/h3-6,13,16H,2,7-12H2,1H3/t13-/m0/s1
InChIKeyMWOIUOMCEGXNPH-ZDUSSCGKSA-N
MW350.85 g/mol
LogP2.58
Rot. Bonds4

About (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one

(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one (PubChem CID 97141344) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
PubChem CID97141344
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)CC1=O
InChIInChI=1S/C18H23ClN2O3/c1-2-20-12-13(11-17(20)22)18(23)21-9-7-16(8-10-21)24-15-5-3-14(19)4-6-15/h3-6,13,16H,2,7-12H2,1H3/t13-/m0/s1
InChIKeyMWOIUOMCEGXNPH-ZDUSSCGKSA-N
XLogP2.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 42189573
1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 50972094
(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093431
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
(4S)-4-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97189532
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369
(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 31831854
1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119564011
(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 26407564
1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 46957846

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one (CID 97141344) is (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one is CCN1C[C@@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)CC1=O.
What is the InChIKey of (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one?
The InChIKey is MWOIUOMCEGXNPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-2-20-12-13(11-17(20)22)18(23)21-9-7-16(8-10-21)24-15-5-3-14(19)4-6-15/h3-6,13,16H,2,7-12H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one?
(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one has a molecular weight of 350.85 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 97141344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).