methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate

C15H20N2O4 — CID 81118246

IUPACmethyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-14(18)10-21-13-6-4-12(5-7-13)17-15(19)11-3-2-8-16-9-11/h4-7,11,16H,2-3,8-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyFSPSBYYIWAXWFF-NSHDSACASA-N
MW292.34 g/mol
LogP1.18
Rot. Bonds5

About methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate

methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate (PubChem CID 81118246) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate
PubChem CID81118246
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-14(18)10-21-13-6-4-12(5-7-13)17-15(19)11-3-2-8-16-9-11/h4-7,11,16H,2-3,8-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyFSPSBYYIWAXWFF-NSHDSACASA-N
XLogP1.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 119283903
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
N-[4-[(2-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 119311313
N-[4-[(4-phenylphenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 25222866
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844260
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide
CID 119306484
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate (CID 81118246) is methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)[C@H]2CCCNC2)cc1.
What is the InChIKey of methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate?
The InChIKey is FSPSBYYIWAXWFF-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-14(18)10-21-13-6-4-12(5-7-13)17-15(19)11-3-2-8-16-9-11/h4-7,11,16H,2-3,8-10H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate?
methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate has a molecular weight of 292.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 81118246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).