2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide

C27H35ClN4O3 — CID 46037780

IUPAC2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCN(c2ccccc2C(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C27H35ClN4O3/c28-21-8-10-23(11-9-21)35-20-26(33)30-22-12-17-32(18-13-22)25-7-3-2-6-24(25)27(34)29-14-19-31-15-4-1-5-16-31/h2-3,6-11,22H,1,4-5,12-20H2,(H,29,34)(H,30,33)
InChIKeyIQOQXHWPQVIVSQ-UHFFFAOYSA-N
MW499.06 g/mol
LogP3.72
Rot. Bonds9

About 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide

2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 46037780) has the molecular formula C27H35ClN4O3 and a molecular weight of 499.06 g/mol. Its IUPAC name is 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID46037780
Molecular FormulaC27H35ClN4O3
Molecular Weight499.06 g/mol
Exact Mass498.24
IUPAC Name2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCN(c2ccccc2C(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C27H35ClN4O3/c28-21-8-10-23(11-9-21)35-20-26(33)30-22-12-17-32(18-13-22)25-7-3-2-6-24(25)27(34)29-14-19-31-15-4-1-5-16-31/h2-3,6-11,22H,1,4-5,12-20H2,(H,29,34)(H,30,33)
InChIKeyIQOQXHWPQVIVSQ-UHFFFAOYSA-N
XLogP3.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.06
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847963
2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46037280
2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847952
N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
CID 46038163
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
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
N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
CID 42848309
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide (CID 46037780) is 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide is O=C(COc1ccc(Cl)cc1)NC1CCN(c2ccccc2C(=O)NCCN2CCCCC2)CC1.
What is the InChIKey of 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is IQOQXHWPQVIVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O3/c28-21-8-10-23(11-9-21)35-20-26(33)30-22-12-17-32(18-13-22)25-7-3-2-6-24(25)27(34)29-14-19-31-15-4-1-5-16-31/h2-3,6-11,22H,1,4-5,12-20H2,(H,29,34)(H,30,33).
What are the key properties of 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide?
2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 499.06 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 46037780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).