2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

C23H29ClN2O2 — CID 55839998

IUPAC2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)COCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C23H29ClN2O2/c1-18-5-4-12-26(14-18)15-20-10-8-19(9-11-20)13-25-23(27)17-28-16-21-6-2-3-7-22(21)24/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,27)
InChIKeyDGJLGJQXFCVUBT-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.40
Rot. Bonds8

About 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 55839998) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID55839998
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)COCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C23H29ClN2O2/c1-18-5-4-12-26(14-18)15-20-10-8-19(9-11-20)13-25-23(27)17-28-16-21-6-2-3-7-22(21)24/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,27)
InChIKeyDGJLGJQXFCVUBT-UHFFFAOYSA-N
XLogP4.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55705156
4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120595227
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
N-[(2-methoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283594
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94023964
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 87018008

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (CID 55839998) is 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is CC1CCCN(Cc2ccc(CNC(=O)COCc3ccccc3Cl)cc2)C1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is DGJLGJQXFCVUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-18-5-4-12-26(14-18)15-20-10-8-19(9-11-20)13-25-23(27)17-28-16-21-6-2-3-7-22(21)24/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,27).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 400.95 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 55839998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).