N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide

C21H35N3O — CID 8710475

IUPACN-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)c1ccc(CN2CCN(CC(=O)N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C21H35N3O/c1-16(2)18(5)22-21(25)15-24-12-10-23(11-13-24)14-19-6-8-20(9-7-19)17(3)4/h6-9,16-18H,10-15H2,1-5H3,(H,22,25)/t18-/m1/s1
InChIKeyYAJNYPKCBUXIBU-GOSISDBHSA-N
MW345.53 g/mol
LogP3.09
Rot. Bonds7

About N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide

N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 8710475) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID8710475
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)c1ccc(CN2CCN(CC(=O)N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C21H35N3O/c1-16(2)18(5)22-21(25)15-24-12-10-23(11-13-24)14-19-6-8-20(9-7-19)17(3)4/h6-9,16-18H,10-15H2,1-5H3,(H,22,25)/t18-/m1/s1
InChIKeyYAJNYPKCBUXIBU-GOSISDBHSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
CID 8616835
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9300372
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130606
methyl 4-[[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]methyl]benzoate
CID 9300602
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 29230660
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442
N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide
CID 60691255
N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8616226
[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea
CID 51177681
ethyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 8616599
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130598

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide (CID 8710475) is N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide is CC(C)c1ccc(CN2CCN(CC(=O)N[C@H](C)C(C)C)CC2)cc1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is YAJNYPKCBUXIBU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H35N3O/c1-16(2)18(5)22-21(25)15-24-12-10-23(11-13-24)14-19-6-8-20(9-7-19)17(3)4/h6-9,16-18H,10-15H2,1-5H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 345.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8710475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).