N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C23H35N3O2 — CID 77089396

IUPACN-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccc(C(CNC(=O)CCCN2CCCC2=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-18-7-9-20(10-8-18)21(25-15-11-19(2)12-16-25)17-24-22(27)5-3-13-26-14-4-6-23(26)28/h7-10,19,21H,3-6,11-17H2,1-2H3,(H,24,27)
InChIKeyLTPYAGPUMMQMJO-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.29
Rot. Bonds8

About N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 77089396) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID77089396
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccc(C(CNC(=O)CCCN2CCCC2=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-18-7-9-20(10-8-18)21(25-15-11-19(2)12-16-25)17-24-22(27)5-3-13-26-14-4-6-23(26)28/h7-10,19,21H,3-6,11-17H2,1-2H3,(H,24,27)
InChIKeyLTPYAGPUMMQMJO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 125443420
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119866490
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 78881606
4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one
CID 82132696
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 94819247
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110302964
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 7384699

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 77089396) is N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1ccc(C(CNC(=O)CCCN2CCCC2=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is LTPYAGPUMMQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18-7-9-20(10-8-18)21(25-15-11-19(2)12-16-25)17-24-22(27)5-3-13-26-14-4-6-23(26)28/h7-10,19,21H,3-6,11-17H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 385.55 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 77089396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).