4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide

C23H25ClN2O3 — CID 53150189

IUPAC4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H25ClN2O3/c24-19-7-3-18(4-8-19)23(28)26-13-1-2-16(14-26)15-29-21-11-5-17(6-12-21)22(27)25-20-9-10-20/h3-8,11-12,16,20H,1-2,9-10,13-15H2,(H,25,27)
InChIKeyJAFRCFNWUXPKGR-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.16
Rot. Bonds6

About 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide

4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide (PubChem CID 53150189) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
PubChem CID53150189
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H25ClN2O3/c24-19-7-3-18(4-8-19)23(28)26-13-1-2-16(14-26)15-29-21-11-5-17(6-12-21)22(27)25-20-9-10-20/h3-8,11-12,16,20H,1-2,9-10,13-15H2,(H,25,27)
InChIKeyJAFRCFNWUXPKGR-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097835
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
CID 50846259
4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 95097845
N-cyclopropyl-4-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097851
N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 53150228
N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92900980
N-cyclopropyl-3-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037
N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide
CID 95097877
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 92900952

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide (CID 53150189) is 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(OCC2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
The InChIKey is JAFRCFNWUXPKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c24-19-7-3-18(4-8-19)23(28)26-13-1-2-16(14-26)15-29-21-11-5-17(6-12-21)22(27)25-20-9-10-20/h3-8,11-12,16,20H,1-2,9-10,13-15H2,(H,25,27).
What are the key properties of 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide has a molecular weight of 412.92 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide is sourced from PubChem (CID 53150189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).