4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide

C23H24ClFN2O3 — CID 95097845

IUPAC4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)cc1
InChIInChI=1S/C23H24ClFN2O3/c24-21-12-17(25)5-10-20(21)23(29)27-11-1-2-15(13-27)14-30-19-8-3-16(4-9-19)22(28)26-18-6-7-18/h3-5,8-10,12,15,18H,1-2,6-7,11,13-14H2,(H,26,28)/t15-/m1/s1
InChIKeyCMKGUFCWCNKFMR-OAHLLOKOSA-N
MW430.91 g/mol
LogP4.30
Rot. Bonds6

About 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide

4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide (PubChem CID 95097845) has the molecular formula C23H24ClFN2O3 and a molecular weight of 430.91 g/mol. Its IUPAC name is 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
PubChem CID95097845
Molecular FormulaC23H24ClFN2O3
Molecular Weight430.91 g/mol
Exact Mass430.15
IUPAC Name4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)cc1
InChIInChI=1S/C23H24ClFN2O3/c24-21-12-17(25)5-10-20(21)23(29)27-11-1-2-15(13-27)14-30-19-8-3-16(4-9-19)22(28)26-18-6-7-18/h3-5,8-10,12,15,18H,1-2,6-7,11,13-14H2,(H,26,28)/t15-/m1/s1
InChIKeyCMKGUFCWCNKFMR-OAHLLOKOSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097851
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 53150228
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
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 95097828
4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097997
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
[3-[[1-(2-chloro-5-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846654

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide (CID 95097845) is 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)cc1.
What is the InChIKey of 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
The InChIKey is CMKGUFCWCNKFMR-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24ClFN2O3/c24-21-12-17(25)5-10-20(21)23(29)27-11-1-2-15(13-27)14-30-19-8-3-16(4-9-19)22(28)26-18-6-7-18/h3-5,8-10,12,15,18H,1-2,6-7,11,13-14H2,(H,26,28)/t15-/m1/s1.
What are the key properties of 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide has a molecular weight of 430.91 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide is sourced from PubChem (CID 95097845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).