N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide

C28H30ClN3O3 — CID 46038163

IUPACN-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H30ClN3O3/c1-31(19-21-7-3-2-4-8-21)28(34)25-9-5-6-10-26(25)32-17-15-23(16-18-32)30-27(33)20-35-24-13-11-22(29)12-14-24/h2-14,23H,15-20H2,1H3,(H,30,33)
InChIKeyVLWUBGNPJHJYRF-UHFFFAOYSA-N
MW492.02 g/mol
LogP4.78
Rot. Bonds8

About N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide

N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide (PubChem CID 46038163) has the molecular formula C28H30ClN3O3 and a molecular weight of 492.02 g/mol. Its IUPAC name is N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
PubChem CID46038163
Molecular FormulaC28H30ClN3O3
Molecular Weight492.02 g/mol
Exact Mass491.20
IUPAC NameN-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H30ClN3O3/c1-31(19-21-7-3-2-4-8-21)28(34)25-9-5-6-10-26(25)32-17-15-23(16-18-32)30-27(33)20-35-24-13-11-22(29)12-14-24/h2-14,23H,15-20H2,1H3,(H,30,33)
InChIKeyVLWUBGNPJHJYRF-UHFFFAOYSA-N
XLogP4.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
CID 42848309
2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46037780
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314
N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
CID 46038514
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 46037468
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037614
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-2-phenoxyacetamide
CID 46038010
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide?
The IUPAC name of N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide (CID 46038163) is N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide?
The InChIKey is VLWUBGNPJHJYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O3/c1-31(19-21-7-3-2-4-8-21)28(34)25-9-5-6-10-26(25)32-17-15-23(16-18-32)30-27(33)20-35-24-13-11-22(29)12-14-24/h2-14,23H,15-20H2,1H3,(H,30,33).
What are the key properties of N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide?
N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide has a molecular weight of 492.02 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 46038163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).