N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide

C24H27FN2O3 — CID 95097828

IUPACN-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)cc1
InChIInChI=1S/C24H27FN2O3/c25-20-5-1-3-17(13-20)14-23(28)27-12-2-4-18(15-27)16-30-22-10-6-19(7-11-22)24(29)26-21-8-9-21/h1,3,5-7,10-11,13,18,21H,2,4,8-9,12,14-16H2,(H,26,29)/t18-/m1/s1
InChIKeyLTHMHZQWJYMSKX-GOSISDBHSA-N
MW410.49 g/mol
LogP3.58
Rot. Bonds7

About N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide (PubChem CID 95097828) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
PubChem CID95097828
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)cc1
InChIInChI=1S/C24H27FN2O3/c25-20-5-1-3-17(13-20)14-23(28)27-12-2-4-18(15-27)16-30-22-10-6-19(7-11-22)24(29)26-21-8-9-21/h1,3,5-7,10-11,13,18,21H,2,4,8-9,12,14-16H2,(H,26,29)/t18-/m1/s1
InChIKeyLTHMHZQWJYMSKX-GOSISDBHSA-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-4-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097851
N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097835
4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 95097845
N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 92901011
N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 50846747
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
2-(3-methoxyphenyl)-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150064
N-cyclopropyl-3-[[(3S)-1-propanoylpiperidin-3-yl]methoxy]benzamide
CID 92901036
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid
CID 62690576
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide (CID 95097828) is N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide is O=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
The InChIKey is LTHMHZQWJYMSKX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-20-5-1-3-17(13-20)14-23(28)27-12-2-4-18(15-27)16-30-22-10-6-19(7-11-22)24(29)26-21-8-9-21/h1,3,5-7,10-11,13,18,21H,2,4,8-9,12,14-16H2,(H,26,29)/t18-/m1/s1.
What are the key properties of N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-4-[[(3R)-1-[2-(3-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-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 95097828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).