methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate

C16H22N2O3 — CID 115462737

IUPACmethyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1CCCCC1C(N)=O
InChIInChI=1S/C16H22N2O3/c1-21-15(19)10-12-6-2-3-7-13(12)11-18-9-5-4-8-14(18)16(17)20/h2-3,6-7,14H,4-5,8-11H2,1H3,(H2,17,20)
InChIKeySLIKVISJRBYRPY-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.24
Rot. Bonds5

About methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate

methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate (PubChem CID 115462737) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
PubChem CID115462737
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1CCCCC1C(N)=O
InChIInChI=1S/C16H22N2O3/c1-21-15(19)10-12-6-2-3-7-13(12)11-18-9-5-4-8-14(18)16(17)20/h2-3,6-7,14H,4-5,8-11H2,1H3,(H2,17,20)
InChIKeySLIKVISJRBYRPY-UHFFFAOYSA-N
XLogP1.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
methyl 2-[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462840
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
CID 107113264
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
methyl (2R)-1-[(2-nitrophenyl)methyl]piperidine-2-carboxylate
CID 79833556
(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 95625732
methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462531
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate (CID 115462737) is methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate is COC(=O)Cc1ccccc1CN1CCCCC1C(N)=O.
What is the InChIKey of methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate?
The InChIKey is SLIKVISJRBYRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-15(19)10-12-6-2-3-7-13(12)11-18-9-5-4-8-14(18)16(17)20/h2-3,6-7,14H,4-5,8-11H2,1H3,(H2,17,20).
What are the key properties of methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate?
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate is sourced from PubChem (CID 115462737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).