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

C21H30N2O4 — CID 91916255

IUPAC2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C21H30N2O4/c1-16-4-3-5-17(14-16)21(25)22-10-6-18(7-11-22)23(20(24)15-26-2)19-8-12-27-13-9-19/h3-5,14,18-19H,6-13,15H2,1-2H3
InChIKeyQMQSCMNRQATULU-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.25
Rot. Bonds5

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

2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 91916255) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID91916255
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C21H30N2O4/c1-16-4-3-5-17(14-16)21(25)22-10-6-18(7-11-22)23(20(24)15-26-2)19-8-12-27-13-9-19/h3-5,14,18-19H,6-13,15H2,1-2H3
InChIKeyQMQSCMNRQATULU-UHFFFAOYSA-N
XLogP2.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.25
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-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 91906166
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
CID 110873037
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
2-methoxy-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547620
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906159
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 141155816
1-(oxan-4-yl)-3-propyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]urea
CID 91916266
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 91916255) is 2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is COCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccc(C)c2)CC1.
What is the InChIKey of 2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is QMQSCMNRQATULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-16-4-3-5-17(14-16)21(25)22-10-6-18(7-11-22)23(20(24)15-26-2)19-8-12-27-13-9-19/h3-5,14,18-19H,6-13,15H2,1-2H3.
What are the key properties of 2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 374.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91916255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).