N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide

C21H29ClN2O4 — CID 91906172

IUPACN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H29ClN2O4/c1-27-15-21(26)24(18-8-12-28-13-9-18)17-6-10-23(11-7-17)20(25)14-16-4-2-3-5-19(16)22/h2-5,17-18H,6-15H2,1H3
InChIKeyNJPOVOVMZWFISQ-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.53
Rot. Bonds6

About N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide

N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (PubChem CID 91906172) has the molecular formula C21H29ClN2O4 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
PubChem CID91906172
Molecular FormulaC21H29ClN2O4
Molecular Weight408.93 g/mol
Exact Mass408.18
IUPAC NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H29ClN2O4/c1-27-15-21(26)24(18-8-12-28-13-9-18)17-6-10-23(11-7-17)20(25)14-16-4-2-3-5-19(16)22/h2-5,17-18H,6-15H2,1H3
InChIKeyNJPOVOVMZWFISQ-UHFFFAOYSA-N
XLogP2.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906169
2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 91916255
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906153
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 91906166
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
CID 63869215
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616293
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
methyl 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
CID 69297602

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (CID 91906172) is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is COCC(=O)N(C1CCOCC1)C1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The InChIKey is NJPOVOVMZWFISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O4/c1-27-15-21(26)24(18-8-12-28-13-9-18)17-6-10-23(11-7-17)20(25)14-16-4-2-3-5-19(16)22/h2-5,17-18H,6-15H2,1H3.
What are the key properties of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide has a molecular weight of 408.93 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).