N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

C25H32N4O3 — CID 52667395

IUPACN-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H32N4O3/c1-20-9-10-22(23(17-20)32-19-21-7-3-2-4-8-21)26-25(31)29-15-13-27(14-16-29)18-24(30)28-11-5-6-12-28/h2-4,7-10,17H,5-6,11-16,18-19H2,1H3,(H,26,31)
InChIKeyZHQNAQDJLWMDLH-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.35
Rot. Bonds6

About N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 52667395) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
PubChem CID52667395
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H32N4O3/c1-20-9-10-22(23(17-20)32-19-21-7-3-2-4-8-21)26-25(31)29-15-13-27(14-16-29)18-24(30)28-11-5-6-12-28/h2-4,7-10,17H,5-6,11-16,18-19H2,1H3,(H,26,31)
InChIKeyZHQNAQDJLWMDLH-UHFFFAOYSA-N
XLogP3.35
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 86877135
N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 112824843
3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 111443143
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
N-(2-methyl-4-phenylmethoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 86967276
N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 17445165
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 60536113
N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
(4R)-4-hydroxy-4-methyl-N-(2-phenylmethoxyphenyl)azepane-1-carboxamide
CID 125166380
N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55889452
1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 55890602

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (CID 52667395) is N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(OCc2ccccc2)c1.
What is the InChIKey of N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is ZHQNAQDJLWMDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-20-9-10-22(23(17-20)32-19-21-7-3-2-4-8-21)26-25(31)29-15-13-27(14-16-29)18-24(30)28-11-5-6-12-28/h2-4,7-10,17H,5-6,11-16,18-19H2,1H3,(H,26,31).
What are the key properties of N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 52667395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).