2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide

C18H27N3O3 — CID 70737300

IUPAC2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCCCCC1C(=O)N(C)CCN1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C18H27N3O3/c1-4-5-6-16-17(22)20(2)11-12-21(16)18(23)19-13-14-7-9-15(24-3)10-8-14/h7-10,16H,4-6,11-13H2,1-3H3,(H,19,23)
InChIKeyJPQRRGCAUUIVPW-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.24
Rot. Bonds6

About 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide

2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 70737300) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide
PubChem CID70737300
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCCCCC1C(=O)N(C)CCN1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C18H27N3O3/c1-4-5-6-16-17(22)20(2)11-12-21(16)18(23)19-13-14-7-9-15(24-3)10-8-14/h7-10,16H,4-6,11-13H2,1-3H3,(H,19,23)
InChIKeyJPQRRGCAUUIVPW-UHFFFAOYSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 119066017
methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
CID 97436839
(6S)-6-butyl-N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 143145710
(2S)-2-butyl-4-methyl-N-(4-methylsulfonylphenyl)-3-oxopiperazine-1-carboxamide
CID 97435864
3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
CID 131941063
(6S,9aS)-6-butyl-N-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxo-8-(oxolan-2-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58889882
(6S,9aS)-8-hexyl-N-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxo-6-propyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58887979
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
(3R)-3-butyl-4-[4-(5-methoxy-3-pyridinyl)benzoyl]-1-methylpiperazin-2-one
CID 126428549
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide (CID 70737300) is 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide is CCCCC1C(=O)N(C)CCN1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is JPQRRGCAUUIVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-5-6-16-17(22)20(2)11-12-21(16)18(23)19-13-14-7-9-15(24-3)10-8-14/h7-10,16H,4-6,11-13H2,1-3H3,(H,19,23).
What are the key properties of 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide?
2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 70737300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).