(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

C19H27N3O3 — CID 95765233

IUPAC(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccccc1CNC(=O)N1CCC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C19H27N3O3/c1-2-25-17-9-4-3-7-15(17)13-20-19(24)21-11-5-8-16(14-21)22-12-6-10-18(22)23/h3-4,7,9,16H,2,5-6,8,10-14H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyOUBAGNJIDCBENT-INIZCTEOSA-N
MW345.44 g/mol
LogP2.38
Rot. Bonds5

About (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide (PubChem CID 95765233) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
PubChem CID95765233
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccccc1CNC(=O)N1CCC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C19H27N3O3/c1-2-25-17-9-4-3-7-15(17)13-20-19(24)21-11-5-8-16(14-21)22-12-6-10-18(22)23/h3-4,7,9,16H,2,5-6,8,10-14H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyOUBAGNJIDCBENT-INIZCTEOSA-N
XLogP2.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95622514
N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 138044085
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910
3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
CID 110922264
N-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731
N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693
(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 94822300
N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 56787895
(3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95622518
1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 110025342
(3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765390

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide (CID 95765233) is (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide is CCOc1ccccc1CNC(=O)N1CCC[C@H](N2CCCC2=O)C1.
What is the InChIKey of (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The InChIKey is OUBAGNJIDCBENT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-17-9-4-3-7-15(17)13-20-19(24)21-11-5-8-16(14-21)22-12-6-10-18(22)23/h3-4,7,9,16H,2,5-6,8,10-14H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95765233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).