N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide

C20H26ClFN2O4 — CID 91906169

IUPACN-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H26ClFN2O4/c1-27-13-19(25)24(16-6-10-28-11-7-16)15-4-8-23(9-5-15)20(26)14-2-3-18(22)17(21)12-14/h2-3,12,15-16H,4-11,13H2,1H3
InChIKeySWBYOJYVIPVLQG-UHFFFAOYSA-N
MW412.89 g/mol
LogP2.74
Rot. Bonds5

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

N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (PubChem CID 91906169) has the molecular formula C20H26ClFN2O4 and a molecular weight of 412.89 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
PubChem CID91906169
Molecular FormulaC20H26ClFN2O4
Molecular Weight412.89 g/mol
Exact Mass412.16
IUPAC NameN-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H26ClFN2O4/c1-27-13-19(25)24(16-6-10-28-11-7-16)15-4-8-23(9-5-15)20(26)14-2-3-18(22)17(21)12-14/h2-3,12,15-16H,4-11,13H2,1H3
InChIKeySWBYOJYVIPVLQG-UHFFFAOYSA-N
XLogP2.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 91916255
2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 91906166
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906172
(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone
CID 91916187
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906159
ethyl 1-(3-chloro-4-fluorobenzoyl)azepane-4-carboxylate
CID 46942756
(3-chloro-4-fluorophenyl)-[(1R,6R,9S)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
CID 98811724
[3-(bromomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82880080
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
(3-chloro-4-fluorophenyl)-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124870354
(3-chloro-4-fluorophenyl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70783009
2-[1-(3-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]acetic acid
CID 82875827

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (CID 91906169) is N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is COCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The InChIKey is SWBYOJYVIPVLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClFN2O4/c1-27-13-19(25)24(16-6-10-28-11-7-16)15-4-8-23(9-5-15)20(26)14-2-3-18(22)17(21)12-14/h2-3,12,15-16H,4-11,13H2,1H3.
What are the key properties of N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide has a molecular weight of 412.89 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).