N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide

C23H27N5O — CID 1391069

IUPACN-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)NN=Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H27N5O/c1-18-6-8-19(9-7-18)16-27-10-12-28(13-11-27)17-23(29)26-25-15-20-14-24-22-5-3-2-4-21(20)22/h2-9,14-15,24H,10-13,16-17H2,1H3,(H,26,29)
InChIKeyHRXSJMDTKSTSCX-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.74
Rot. Bonds6

About N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide

N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 1391069) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID1391069
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)NN=Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H27N5O/c1-18-6-8-19(9-7-18)16-27-10-12-28(13-11-27)17-23(29)26-25-15-20-14-24-22-5-3-2-4-21(20)22/h2-9,14-15,24H,10-13,16-17H2,1H3,(H,26,29)
InChIKeyHRXSJMDTKSTSCX-UHFFFAOYSA-N
XLogP2.74
TPSA63.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-(1H-indol-3-ylmethylideneamino)-3-(4-methylpiperazin-1-yl)propanamide
CID 790904
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-4-oxobutanamide
CID 172933261
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methylideneamino]acetamide
CID 1383048
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,3-dimethylphenyl)methylideneamino]acetamide
CID 138741424
2-[(E)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6865035
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1390261
N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
CID 123995368
2-(4-benzylpiperazin-1-yl)-N-[(2-sulfanylphenyl)methylideneamino]acetamide
CID 137072839

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 1391069) is N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1ccc(CN2CCN(CC(=O)NN=Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is HRXSJMDTKSTSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-18-6-8-19(9-7-18)16-27-10-12-28(13-11-27)17-23(29)26-25-15-20-14-24-22-5-3-2-4-21(20)22/h2-9,14-15,24H,10-13,16-17H2,1H3,(H,26,29).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 1391069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).