N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide

C23H24F2N2O3 — CID 95097835

IUPACN-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C23H24F2N2O3/c24-20-10-5-17(12-21(20)25)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
InChIKeyCQQPSXQJSTYABC-OAHLLOKOSA-N
MW414.45 g/mol
LogP3.79
Rot. Bonds6

About N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide (PubChem CID 95097835) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
PubChem CID95097835
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC NameN-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C23H24F2N2O3/c24-20-10-5-17(12-21(20)25)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
InChIKeyCQQPSXQJSTYABC-OAHLLOKOSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
N-cyclopropyl-4-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097851
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 95097845
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-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037
N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 95097828
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide (CID 95097835) is N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide is O=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide?
The InChIKey is CQQPSXQJSTYABC-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c24-20-10-5-17(12-21(20)25)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 N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide has a molecular weight of 414.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 95097835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).