5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one

C30H36N4O3 — CID 45243902

IUPAC5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one
SMILESCN(Cc1cccc(OCCN2CCN(C(=O)c3cccc4ccccc34)CC2)c1)CC1CCC(=O)N1
InChIInChI=1S/C30H36N4O3/c1-32(22-25-12-13-29(35)31-25)21-23-6-4-9-26(20-23)37-19-18-33-14-16-34(17-15-33)30(36)28-11-5-8-24-7-2-3-10-27(24)28/h2-11,20,25H,12-19,21-22H2,1H3,(H,31,35)
InChIKeyUZQCESIULMPTLR-UHFFFAOYSA-N
MW500.64 g/mol
LogP3.39
Rot. Bonds9

About 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one

5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one (PubChem CID 45243902) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one
PubChem CID45243902
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one
SMILESCN(Cc1cccc(OCCN2CCN(C(=O)c3cccc4ccccc34)CC2)c1)CC1CCC(=O)N1
InChIInChI=1S/C30H36N4O3/c1-32(22-25-12-13-29(35)31-25)21-23-6-4-9-26(20-23)37-19-18-33-14-16-34(17-15-33)30(36)28-11-5-8-24-7-2-3-10-27(24)28/h2-11,20,25H,12-19,21-22H2,1H3,(H,31,35)
InChIKeyUZQCESIULMPTLR-UHFFFAOYSA-N
XLogP3.39
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-[[[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 26321255
(5R)-5-[[[3-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 26350854
3-[4-[2-[3-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 45186412
5-[[[3-[2-[4-[3-(3-fluorophenyl)benzoyl]piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 45169389
5-[[methyl-[[3-[2-[4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one
CID 45241227
5-[[[3-[2-[4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 74498971
5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 45208139
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 27848341
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
CID 71725059

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one (CID 45243902) is 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one is CN(Cc1cccc(OCCN2CCN(C(=O)c3cccc4ccccc34)CC2)c1)CC1CCC(=O)N1.
What is the InChIKey of 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is UZQCESIULMPTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-32(22-25-12-13-29(35)31-25)21-23-6-4-9-26(20-23)37-19-18-33-14-16-34(17-15-33)30(36)28-11-5-8-24-7-2-3-10-27(24)28/h2-11,20,25H,12-19,21-22H2,1H3,(H,31,35).
What are the key properties of 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one?
5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 500.64 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45243902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).