(3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one

C18H24ClN3O2 — CID 100871047

IUPAC(3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESCC(=O)N1CC[C@H](N[C@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C)C1
InChIInChI=1S/C18H24ClN3O2/c1-12-11-21(13(2)23)9-7-15(12)20-16-8-10-22(18(16)24)17-6-4-3-5-14(17)19/h3-6,12,15-16,20H,7-11H2,1-2H3/t12-,15-,16-/m0/s1
InChIKeyXPWNDXFXHWFGDS-RCBQFDQVSA-N
MW349.86 g/mol
LogP2.29
Rot. Bonds3

About (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one

(3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one (PubChem CID 100871047) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one
PubChem CID100871047
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name(3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESCC(=O)N1CC[C@H](N[C@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C)C1
InChIInChI=1S/C18H24ClN3O2/c1-12-11-21(13(2)23)9-7-15(12)20-16-8-10-22(18(16)24)17-6-4-3-5-14(17)19/h3-6,12,15-16,20H,7-11H2,1-2H3/t12-,15-,16-/m0/s1
InChIKeyXPWNDXFXHWFGDS-RCBQFDQVSA-N
XLogP2.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
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CID 120500650
(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97000579
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 95322197
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
[(3R,4S)-4-[(2-chlorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513589
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95619997
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide
CID 136543947
(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one
CID 124556502
1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 56787564
5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide
CID 56787560

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one (CID 100871047) is (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one is CC(=O)N1CC[C@H](N[C@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C)C1.
What is the InChIKey of (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one?
The InChIKey is XPWNDXFXHWFGDS-RCBQFDQVSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-12-11-21(13(2)23)9-7-15(12)20-16-8-10-22(18(16)24)17-6-4-3-5-14(17)19/h3-6,12,15-16,20H,7-11H2,1-2H3/t12-,15-,16-/m0/s1.
What are the key properties of (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one?
(3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one has a molecular weight of 349.86 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 100871047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).