N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide

C24H32N4O2 — CID 30253772

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCO1
InChIInChI=1S/C24H32N4O2/c1-20-17-27(15-16-30-20)19-24(29)25-22-7-9-23(10-8-22)28-13-11-26(12-14-28)18-21-5-3-2-4-6-21/h2-10,20H,11-19H2,1H3,(H,25,29)/t20-/m0/s1
InChIKeyDPPXTJKGHFDFFN-FQEVSTJZSA-N
MW408.55 g/mol
LogP2.67
Rot. Bonds6

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide (PubChem CID 30253772) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
PubChem CID30253772
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCO1
InChIInChI=1S/C24H32N4O2/c1-20-17-27(15-16-30-20)19-24(29)25-22-7-9-23(10-8-22)28-13-11-26(12-14-28)18-21-5-3-2-4-6-21/h2-10,20H,11-19H2,1H3,(H,25,29)/t20-/m0/s1
InChIKeyDPPXTJKGHFDFFN-FQEVSTJZSA-N
XLogP2.67
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
2-[4-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55462140
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
2-[[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 26579098
2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide
CID 47135180
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 42311249
2-(2-methylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 51295683
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 42311026
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 16611504
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] pentanoate
CID 18289327

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide (CID 30253772) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide is C[C@H]1CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCO1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
The InChIKey is DPPXTJKGHFDFFN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-20-17-27(15-16-30-20)19-24(29)25-22-7-9-23(10-8-22)28-13-11-26(12-14-28)18-21-5-3-2-4-6-21/h2-10,20H,11-19H2,1H3,(H,25,29)/t20-/m0/s1.
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide has a molecular weight of 408.55 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 30253772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).