4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide

C28H34N4O2 — CID 42850230

IUPAC4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1ccc(CN2CCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1
InChIInChI=1S/C28H34N4O2/c1-28(2,3)23-9-7-22(8-10-23)27(33)30-24-11-14-26(29-19-24)32-17-15-31(16-18-32)20-21-5-12-25(34-4)13-6-21/h5-14,19H,15-18,20H2,1-4H3,(H,30,33)
InChIKeyIGKHNUAMXLLTII-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.96
Rot. Bonds6

About 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide

4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 42850230) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID42850230
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1ccc(CN2CCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1
InChIInChI=1S/C28H34N4O2/c1-28(2,3)23-9-7-22(8-10-23)27(33)30-24-11-14-26(29-19-24)32-17-15-31(16-18-32)20-21-5-12-25(34-4)13-6-21/h5-14,19H,15-18,20H2,1-4H3,(H,30,33)
InChIKeyIGKHNUAMXLLTII-UHFFFAOYSA-N
XLogP4.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527
N-[6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857590
2-fluoro-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850234
N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42850231
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 42857326
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053761
N-[6-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857423
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
4-tert-butyl-N-[6-[4-(2-hydroxy-3-methoxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857854
1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 59019360

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide (CID 42850230) is 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide is COc1ccc(CN2CCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is IGKHNUAMXLLTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-28(2,3)23-9-7-22(8-10-23)27(33)30-24-11-14-26(29-19-24)32-17-15-31(16-18-32)20-21-5-12-25(34-4)13-6-21/h5-14,19H,15-18,20H2,1-4H3,(H,30,33).
What are the key properties of 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 458.61 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 42850230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).