(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

C25H35N3O3 — CID 9375187

IUPAC(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCC[C@H]1CCCCN1C(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1
InChIInChI=1S/C25H35N3O3/c1-3-21-6-4-5-13-27(21)25(31)19-11-14-26(15-12-19)24(30)20-16-23(29)28(17-20)22-9-7-18(2)8-10-22/h7-10,19-21H,3-6,11-17H2,1-2H3/t20-,21-/m0/s1
InChIKeyDERXTJBHILVFBX-SFTDATJTSA-N
MW425.57 g/mol
LogP3.38
Rot. Bonds4

About (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 9375187) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID9375187
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCC[C@H]1CCCCN1C(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1
InChIInChI=1S/C25H35N3O3/c1-3-21-6-4-5-13-27(21)25(31)19-11-14-26(15-12-19)24(30)20-16-23(29)28(17-20)22-9-7-18(2)8-10-22/h7-10,19-21H,3-6,11-17H2,1-2H3/t20-,21-/m0/s1
InChIKeyDERXTJBHILVFBX-SFTDATJTSA-N
XLogP3.38
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
1-(3,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113192409
N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081813
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113191158
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178799
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 119437039
N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110023693
4-(2-ethylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188642

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 9375187) is (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is CC[C@H]1CCCCN1C(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1.
What is the InChIKey of (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is DERXTJBHILVFBX-SFTDATJTSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-3-21-6-4-5-13-27(21)25(31)19-11-14-26(15-12-19)24(30)20-16-23(29)28(17-20)22-9-7-18(2)8-10-22/h7-10,19-21H,3-6,11-17H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 425.57 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 9375187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).