N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide

C21H33N3O2 — CID 95722246

IUPACN-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCCCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1)C(C)C
InChIInChI=1S/C21H33N3O2/c1-5-6-12-24(16(2)3)20(25)14-19-21(26)22-11-13-23(19)15-18-9-7-17(4)8-10-18/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,22,26)/t19-/m1/s1
InChIKeyZTCZRUVDRGADQR-LJQANCHMSA-N
MW359.51 g/mol
LogP2.72
Rot. Bonds8

About N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide

N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 95722246) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
PubChem CID95722246
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCCCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1)C(C)C
InChIInChI=1S/C21H33N3O2/c1-5-6-12-24(16(2)3)20(25)14-19-21(26)22-11-13-23(19)15-18-9-7-17(4)8-10-18/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,22,26)/t19-/m1/s1
InChIKeyZTCZRUVDRGADQR-LJQANCHMSA-N
XLogP2.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95720529
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 45169246
N-(3-hydroxy-3-methylbutyl)-N-methyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95729601
N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95708333
N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95710109
4-[(4-methylphenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
CID 45211142
N-(1,3-dihydroxypropan-2-yl)-2-[(2S)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95726588
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 45191923
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 45171249
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide
CID 56887957

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (CID 95722246) is N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is CCCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1)C(C)C.
What is the InChIKey of N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is ZTCZRUVDRGADQR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-6-12-24(16(2)3)20(25)14-19-21(26)22-11-13-23(19)15-18-9-7-17(4)8-10-18/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,22,26)/t19-/m1/s1.
What are the key properties of N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 359.51 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95722246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).