(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

C19H27N3O3 — CID 95622514

IUPAC(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1C
InChIInChI=1S/C19H27N3O3/c1-3-25-17-9-8-15(12-14(17)2)20-19(24)21-10-4-6-16(13-21)22-11-5-7-18(22)23/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyFRXVUKQAXSJRGW-MRXNPFEDSA-N
MW345.44 g/mol
LogP3.01
Rot. Bonds4

About (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide (PubChem CID 95622514) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
PubChem CID95622514
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1C
InChIInChI=1S/C19H27N3O3/c1-3-25-17-9-8-15(12-14(17)2)20-19(24)21-10-4-6-16(13-21)22-11-5-7-18(22)23/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyFRXVUKQAXSJRGW-MRXNPFEDSA-N
XLogP3.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595317
N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
methyl 2-chloro-5-[[(3R)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]amino]benzoate
CID 97433884
(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765233
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
(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97340327
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
CID 97270143
4-(2,2-difluoroethyl)-N-(4-ethoxy-3-methylphenyl)piperazine-1-carboxamide
CID 49118117

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide (CID 95622514) is (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1C.
What is the InChIKey of (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The InChIKey is FRXVUKQAXSJRGW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-25-17-9-8-15(12-14(17)2)20-19(24)21-10-4-6-16(13-21)22-11-5-7-18(22)23/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95622514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).