2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide

C30H33ClN2O3 — CID 171343772

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
SMILESCc1ccc(CN2CCC(NC(=O)C(C)(C)Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)cc1
InChIInChI=1S/C30H33ClN2O3/c1-21-4-6-22(7-5-21)20-33-18-16-26(17-19-33)32-29(35)30(2,3)36-27-14-10-24(11-15-27)28(34)23-8-12-25(31)13-9-23/h4-15,26H,16-20H2,1-3H3,(H,32,35)
InChIKeyFZTJCHQJYCXMDZ-UHFFFAOYSA-N
MW505.06 g/mol
LogP5.82
Rot. Bonds8

About 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide

2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 171343772) has the molecular formula C30H33ClN2O3 and a molecular weight of 505.06 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
PubChem CID171343772
Molecular FormulaC30H33ClN2O3
Molecular Weight505.06 g/mol
Exact Mass504.22
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
SMILESCc1ccc(CN2CCC(NC(=O)C(C)(C)Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)cc1
InChIInChI=1S/C30H33ClN2O3/c1-21-4-6-22(7-5-21)20-33-18-16-26(17-19-33)32-29(35)30(2,3)36-27-14-10-24(11-15-27)28(34)23-8-12-25(31)13-9-23/h4-15,26H,16-20H2,1-3H3,(H,32,35)
InChIKeyFZTJCHQJYCXMDZ-UHFFFAOYSA-N
XLogP5.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.06
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 142457657
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 142457496
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3R)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]pyrrolidin-3-yl]-2-methylpropanamide
CID 118539387
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-hydroxyethyl)-2-methylpropanamide
CID 154646221
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 86930849
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide (CID 171343772) is 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide is Cc1ccc(CN2CCC(NC(=O)C(C)(C)Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is FZTJCHQJYCXMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O3/c1-21-4-6-22(7-5-21)20-33-18-16-26(17-19-33)32-29(35)30(2,3)36-27-14-10-24(11-15-27)28(34)23-8-12-25(31)13-9-23/h4-15,26H,16-20H2,1-3H3,(H,32,35).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide?
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 505.06 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 171343772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).