N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide

C20H29N3O3 — CID 97150580

IUPACN-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)CCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H29N3O3/c1-4-5-6-17-20(26)22(3)13-14-23(17)18(24)11-12-21-19(25)16-9-7-15(2)8-10-16/h7-10,17H,4-6,11-14H2,1-3H3,(H,21,25)/t17-/m0/s1
InChIKeyBIIPGEZCINXPNT-KRWDZBQOSA-N
MW359.47 g/mol
LogP1.97
Rot. Bonds7

About N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide

N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide (PubChem CID 97150580) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide
PubChem CID97150580
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)CCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H29N3O3/c1-4-5-6-17-20(26)22(3)13-14-23(17)18(24)11-12-21-19(25)16-9-7-15(2)8-10-16/h7-10,17H,4-6,11-14H2,1-3H3,(H,21,25)/t17-/m0/s1
InChIKeyBIIPGEZCINXPNT-KRWDZBQOSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide
CID 70737300
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
3-butyl-1-methyl-4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-2-one
CID 90647875
(2S)-2-butyl-4-methyl-N-(4-methylsulfonylphenyl)-3-oxopiperazine-1-carboxamide
CID 97435864
4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide
CID 70788911
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide
CID 95122588
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 72878704
pentyl 3-[3-[(4-methylbenzoyl)amino]propanoylamino]propanoate
CID 91710666
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-4-methylbenzamide
CID 2977263

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide?
The IUPAC name of N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide (CID 97150580) is N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide is CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide?
The InChIKey is BIIPGEZCINXPNT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-5-6-17-20(26)22(3)13-14-23(17)18(24)11-12-21-19(25)16-9-7-15(2)8-10-16/h7-10,17H,4-6,11-14H2,1-3H3,(H,21,25)/t17-/m0/s1.
What are the key properties of N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide?
N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide is sourced from PubChem (CID 97150580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).