(3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide

C19H25N3O4 — CID 9440802

IUPAC(3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(N)=O)C3)CC2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-2-26-16-7-5-15(6-8-16)22-12-14(10-17(22)23)19(25)21-9-3-4-13(11-21)18(20)24/h5-8,13-14H,2-4,9-12H2,1H3,(H2,20,24)/t13-,14+/m0/s1
InChIKeyWMJXNYIPUNHAPI-UONOGXRCSA-N
MW359.43 g/mol
LogP1.16
Rot. Bonds5

About (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide

(3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 9440802) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
PubChem CID9440802
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(N)=O)C3)CC2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-2-26-16-7-5-15(6-8-16)22-12-14(10-17(22)23)19(25)21-9-3-4-13(11-21)18(20)24/h5-8,13-14H,2-4,9-12H2,1H3,(H2,20,24)/t13-,14+/m0/s1
InChIKeyWMJXNYIPUNHAPI-UONOGXRCSA-N
XLogP1.16
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
ethyl 1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 6459232
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 42881962
ethyl (3S)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 1241715
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 45340293
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 47004545
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
ethyl (3S)-1-[(3R)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9352146
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497518

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide (CID 9440802) is (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide is CCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(N)=O)C3)CC2=O)cc1.
What is the InChIKey of (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is WMJXNYIPUNHAPI-UONOGXRCSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-26-16-7-5-15(6-8-16)22-12-14(10-17(22)23)19(25)21-9-3-4-13(11-21)18(20)24/h5-8,13-14H,2-4,9-12H2,1H3,(H2,20,24)/t13-,14+/m0/s1.
What are the key properties of (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide?
(3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 9440802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).