2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

C24H31ClN2O2 — CID 42708096

IUPAC2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1ccccc1CN(CCCN1CCCCC1C)C(=O)c1ccccc1Cl
InChIInChI=1S/C24H31ClN2O2/c1-19-10-7-8-15-26(19)16-9-17-27(18-20-11-3-6-14-23(20)29-2)24(28)21-12-4-5-13-22(21)25/h3-6,11-14,19H,7-10,15-18H2,1-2H3
InChIKeyPADAKATVOMLNGF-UHFFFAOYSA-N
MW414.98 g/mol
LogP5.26
Rot. Bonds8

About 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 42708096) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
PubChem CID42708096
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1ccccc1CN(CCCN1CCCCC1C)C(=O)c1ccccc1Cl
InChIInChI=1S/C24H31ClN2O2/c1-19-10-7-8-15-26(19)16-9-17-27(18-20-11-3-6-14-23(20)29-2)24(28)21-12-4-5-13-22(21)25/h3-6,11-14,19H,7-10,15-18H2,1-2H3
InChIKeyPADAKATVOMLNGF-UHFFFAOYSA-N
XLogP5.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.98
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 42708101
3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42708507
N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708491
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111215431
1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylurea
CID 42700747
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42700768
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide
CID 11677281
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (CID 42708096) is 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is COc1ccccc1CN(CCCN1CCCCC1C)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is PADAKATVOMLNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-19-10-7-8-15-26(19)16-9-17-27(18-20-11-3-6-14-23(20)29-2)24(28)21-12-4-5-13-22(21)25/h3-6,11-14,19H,7-10,15-18H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 414.98 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 42708096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).