N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C24H33N3O2 — CID 9130047

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C24H33N3O2/c1-4-19(2)22-7-5-6-8-23(22)25-24(28)18-27-15-13-26(14-16-27)17-20-9-11-21(29-3)12-10-20/h5-12,19H,4,13-18H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeyKDZUADZJTWMSPX-IBGZPJMESA-N
MW395.55 g/mol
LogP3.96
Rot. Bonds8

About N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9130047) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9130047
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C24H33N3O2/c1-4-19(2)22-7-5-6-8-23(22)25-24(28)18-27-15-13-26(14-16-27)17-20-9-11-21(29-3)12-10-20/h5-12,19H,4,13-18H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeyKDZUADZJTWMSPX-IBGZPJMESA-N
XLogP3.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130043
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130652
N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 55468782
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011834
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931532
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530293
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130598
N-(2-chloro-3-pyridinyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 34932524
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9130047) is N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is CC[C@H](C)c1ccccc1NC(=O)CN1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is KDZUADZJTWMSPX-IBGZPJMESA-N. The full InChI is InChI=1S/C24H33N3O2/c1-4-19(2)22-7-5-6-8-23(22)25-24(28)18-27-15-13-26(14-16-27)17-20-9-11-21(29-3)12-10-20/h5-12,19H,4,13-18H2,1-3H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9130047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).