methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate

C17H22N2O4 — CID 60520995

IUPACmethyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H22N2O4/c1-12(20)18-14-8-6-13(7-9-14)17(22)19-10-4-3-5-15(19)11-16(21)23-2/h6-9,15H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyXWTUAPYQQIYAKJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.20
Rot. Bonds4

About methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate

methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate (PubChem CID 60520995) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
PubChem CID60520995
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H22N2O4/c1-12(20)18-14-8-6-13(7-9-14)17(22)19-10-4-3-5-15(19)11-16(21)23-2/h6-9,15H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyXWTUAPYQQIYAKJ-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
methyl 2-[1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]piperidin-2-yl]acetate
CID 15986844
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 119468615
methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate
CID 61009143
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate (CID 60520995) is methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate?
The InChIKey is XWTUAPYQQIYAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(20)18-14-8-6-13(7-9-14)17(22)19-10-4-3-5-15(19)11-16(21)23-2/h6-9,15H,3-5,10-11H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate?
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate has a molecular weight of 318.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 60520995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).