4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide

C22H27N3O3 — CID 162657122

IUPAC4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC2CCNCC2)cc1OCc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(26)25-20-8-7-19(22(27)24-14-17-9-11-23-12-10-17)13-21(20)28-15-18-5-3-2-4-6-18/h2-8,13,17,23H,9-12,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyBWWVHDWDBTWDAF-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.95
Rot. Bonds7

About 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide

4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 162657122) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide
PubChem CID162657122
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC2CCNCC2)cc1OCc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(26)25-20-8-7-19(22(27)24-14-17-9-11-23-12-10-17)13-21(20)28-15-18-5-3-2-4-6-18/h2-8,13,17,23H,9-12,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyBWWVHDWDBTWDAF-UHFFFAOYSA-N
XLogP2.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)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

Mazapertine
CID 60820
4-(acetylamino)-3-fluoro-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide
CID 146018690
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
Salverine
CID 65585
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
(1-Butylpiperidin-4-yl)methyl 4-Amino-3-(fluoromethoxy)-benzoate
CID 49783420
(1-Butylpiperidin-4-yl)methyl 4-Amino-3-(2-fluoroethoxy)-benzoate
CID 49783421
Azepan-1-yl-{3-[4-(2-ethoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10835967
Azepan-1-yl-{3-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 11797167
4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 53326601

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide (CID 162657122) is 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide is CC(=O)Nc1ccc(C(=O)NCC2CCNCC2)cc1OCc1ccccc1.
What is the InChIKey of 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is BWWVHDWDBTWDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(26)25-20-8-7-19(22(27)24-14-17-9-11-23-12-10-17)13-21(20)28-15-18-5-3-2-4-6-18/h2-8,13,17,23H,9-12,14-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide?
4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-phenylmethoxy-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 162657122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).