N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide

C29H40N4O2 — CID 126189667

IUPACN-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C3CCC(C(C)(C)C)CC3)cc2)CC1
InChIInChI=1S/C29H40N4O2/c1-29(2,3)24-13-15-25(16-14-24)30-31-28(34)23-11-9-22(10-12-23)21-32-17-19-33(20-18-32)26-7-5-6-8-27(26)35-4/h5-12,24H,13-21H2,1-4H3,(H,31,34)/b30-25-
InChIKeyBYHFXQAZVUBLFG-JVCXMKTPSA-N
MW476.67 g/mol
LogP5.34
Rot. Bonds6

About N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide

N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 126189667) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
PubChem CID126189667
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C3CCC(C(C)(C)C)CC3)cc2)CC1
InChIInChI=1S/C29H40N4O2/c1-29(2,3)24-13-15-25(16-14-24)30-31-28(34)23-11-9-22(10-12-23)21-32-17-19-33(20-18-32)26-7-5-6-8-27(26)35-4/h5-12,24H,13-21H2,1-4H3,(H,31,34)/b30-25-
InChIKeyBYHFXQAZVUBLFG-JVCXMKTPSA-N
XLogP5.34
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 3451411
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46054193
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46043442
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 1332232
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 6029525
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
CID 92685521
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 3750438

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide (CID 126189667) is N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide is COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C3CCC(C(C)(C)C)CC3)cc2)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is BYHFXQAZVUBLFG-JVCXMKTPSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-29(2,3)24-13-15-25(16-14-24)30-31-28(34)23-11-9-22(10-12-23)21-32-17-19-33(20-18-32)26-7-5-6-8-27(26)35-4/h5-12,24H,13-21H2,1-4H3,(H,31,34)/b30-25-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 476.67 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 126189667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).