2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C23H23ClN4O2 — CID 55705394

IUPAC2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN4O2/c24-18-8-6-17(7-9-18)16-30-21-5-2-1-4-20(21)22(29)27-19-10-14-28(15-11-19)23-25-12-3-13-26-23/h1-9,12-13,19H,10-11,14-16H2,(H,27,29)
InChIKeyGHMLJOWNMNQCNS-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.11
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 55705394) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID55705394
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN4O2/c24-18-8-6-17(7-9-18)16-30-21-5-2-1-4-20(21)22(29)27-19-10-14-28(15-11-19)23-25-12-3-13-26-23/h1-9,12-13,19H,10-11,14-16H2,(H,27,29)
InChIKeyGHMLJOWNMNQCNS-UHFFFAOYSA-N
XLogP4.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 43010715
2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide
CID 119388320
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2100040
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450691
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55721530
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
2-(4-phenylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721980

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 55705394) is 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2ncccn2)CC1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is GHMLJOWNMNQCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-18-8-6-17(7-9-18)16-30-21-5-2-1-4-20(21)22(29)27-19-10-14-28(15-11-19)23-25-12-3-13-26-23/h1-9,12-13,19H,10-11,14-16H2,(H,27,29).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 422.92 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55705394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).