4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

C21H30N4O3 — CID 164632661

IUPAC4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)OCC(=O)N3C)c(N2CCCC2)c1
InChIInChI=1S/C21H30N4O3/c1-16-5-6-17(18(13-16)24-9-3-4-10-24)14-22-20(27)25-11-7-21(8-12-25)23(2)19(26)15-28-21/h5-6,13H,3-4,7-12,14-15H2,1-2H3,(H,22,27)
InChIKeyKNZBESOYRBIQEV-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.09
Rot. Bonds3

About 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 164632661) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID164632661
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)OCC(=O)N3C)c(N2CCCC2)c1
InChIInChI=1S/C21H30N4O3/c1-16-5-6-17(18(13-16)24-9-3-4-10-24)14-22-20(27)25-11-7-21(8-12-25)23(2)19(26)15-28-21/h5-6,13H,3-4,7-12,14-15H2,1-2H3,(H,22,27)
InChIKeyKNZBESOYRBIQEV-UHFFFAOYSA-N
XLogP2.09
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 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

N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97053449
1-(2-ethyl-5-methylphenyl)pyrrolidine
CID 89060262
N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 75436603
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120942564
N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107799
1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea
CID 167747139
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696
4-methyl-1-[2-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazole-3-carboxylic acid
CID 161255352
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
CID 117309875
N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169557
N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine
CID 117111098

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 164632661) is 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is Cc1ccc(CNC(=O)N2CCC3(CC2)OCC(=O)N3C)c(N2CCCC2)c1.
What is the InChIKey of 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is KNZBESOYRBIQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-16-5-6-17(18(13-16)24-9-3-4-10-24)14-22-20(27)25-11-7-21(8-12-25)23(2)19(26)15-28-21/h5-6,13H,3-4,7-12,14-15H2,1-2H3,(H,22,27).
What are the key properties of 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 164632661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).