N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide

C24H27FN2O3 — CID 92901011

IUPACN-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1cccc(OC[C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)c1
InChIInChI=1S/C24H27FN2O3/c25-22-9-2-1-6-18(22)14-23(28)27-12-4-5-17(15-27)16-30-21-8-3-7-19(13-21)24(29)26-20-10-11-20/h1-3,6-9,13,17,20H,4-5,10-12,14-16H2,(H,26,29)/t17-/m1/s1
InChIKeyNTYZGRSVMVAYHI-QGZVFWFLSA-N
MW410.49 g/mol
LogP3.58
Rot. Bonds7

About N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide (PubChem CID 92901011) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
PubChem CID92901011
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1cccc(OC[C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)c1
InChIInChI=1S/C24H27FN2O3/c25-22-9-2-1-6-18(22)14-23(28)27-12-4-5-17(15-27)16-30-21-8-3-7-19(13-21)24(29)26-20-10-11-20/h1-3,6-9,13,17,20H,4-5,10-12,14-16H2,(H,26,29)/t17-/m1/s1
InChIKeyNTYZGRSVMVAYHI-QGZVFWFLSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[[(3S)-1-propanoylpiperidin-3-yl]methoxy]benzamide
CID 92901036
N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 50846747
3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 50846681
N-cyclopropyl-3-[[1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 50846714
N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
N-cyclopropyl-3-[[(3R)-1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 92900949
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
2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150037
N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92900980
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 92900952
2-(2-chlorophenyl)-1-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 92900858

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide (CID 92901011) is N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide is O=C(NC1CC1)c1cccc(OC[C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)c1.
What is the InChIKey of N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
The InChIKey is NTYZGRSVMVAYHI-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-22-9-2-1-6-18(22)14-23(28)27-12-4-5-17(15-27)16-30-21-8-3-7-19(13-21)24(29)26-20-10-11-20/h1-3,6-9,13,17,20H,4-5,10-12,14-16H2,(H,26,29)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide has a molecular weight of 410.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 92901011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).