N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C23H35N3O2 — CID 3238121

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C23H35N3O2/c1-3-20-7-4-5-15-25(20)16-6-14-24-23(28)21-12-13-22(27)26(21)17-19-10-8-18(2)9-11-19/h8-11,20-21H,3-7,12-17H2,1-2H3,(H,24,28)
InChIKeySJUBCWSKONYPMV-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.26
Rot. Bonds8

About N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3238121) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID3238121
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C23H35N3O2/c1-3-20-7-4-5-15-25(20)16-6-14-24-23(28)21-12-13-22(27)26(21)17-19-10-8-18(2)9-11-19/h8-11,20-21H,3-7,12-17H2,1-2H3,(H,24,28)
InChIKeySJUBCWSKONYPMV-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119507676
4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 119168765
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100744322
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
(2S)-2-(2,5-dimethylphenoxy)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
CID 125042983
3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100596826
(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 125053679
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46772307

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 3238121) is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCC1CCCCN1CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SJUBCWSKONYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-3-20-7-4-5-15-25(20)16-6-14-24-23(28)21-12-13-22(27)26(21)17-19-10-8-18(2)9-11-19/h8-11,20-21H,3-7,12-17H2,1-2H3,(H,24,28).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3238121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).