[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate

C17H23NO3 — CID 7379850

IUPAC[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C17H23NO3/c1-4-16(19)21-15-10-8-14(9-11-15)17(20)18-12(2)6-5-7-13(18)3/h8-13H,4-7H2,1-3H3/t12-,13-/m1/s1
InChIKeyYVZQGSHTYGUHDR-CHWSQXEVSA-N
MW289.38 g/mol
LogP3.41
Rot. Bonds3

About [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate

[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate (PubChem CID 7379850) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate.

Molecular Properties

Compound Name[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate
PubChem CID7379850
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C17H23NO3/c1-4-16(19)21-15-10-8-14(9-11-15)17(20)18-12(2)6-5-7-13(18)3/h8-13H,4-7H2,1-3H3/t12-,13-/m1/s1
InChIKeyYVZQGSHTYGUHDR-CHWSQXEVSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[4-(azepane-1-carbonyl)phenyl] propanoate
CID 2994774
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6932219
(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 976266
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2316598
(4-propanoylphenyl) propanoate
CID 19170728
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
CID 110762234
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
[4-(3-aminoprop-1-ynyl)phenyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968290

Frequently Asked Questions

What is the IUPAC name of [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate?
The IUPAC name of [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate (CID 7379850) is [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate.
What is the SMILES notation for [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate?
The canonical SMILES for [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate is CCC(=O)Oc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1.
What is the InChIKey of [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate?
The InChIKey is YVZQGSHTYGUHDR-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-16(19)21-15-10-8-14(9-11-15)17(20)18-12(2)6-5-7-13(18)3/h8-13H,4-7H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate?
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate has a molecular weight of 289.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate is sourced from PubChem (CID 7379850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).