(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone

C16H21NO2 — CID 2993266

IUPAC(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C16H21NO2/c1-3-11-19-15-6-4-5-14(12-15)16(18)17-9-7-13(2)8-10-17/h3-6,12-13H,1,7-11H2,2H3
InChIKeyJNXOGCRUOJDHSR-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.12
Rot. Bonds4

About (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone

(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone (PubChem CID 2993266) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
PubChem CID2993266
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C16H21NO2/c1-3-11-19-15-6-4-5-14(12-15)16(18)17-9-7-13(2)8-10-17/h3-6,12-13H,1,7-11H2,2H3
InChIKeyJNXOGCRUOJDHSR-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
(3-bromo-4-prop-2-enoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 17067207
(3-prop-2-enoxyphenyl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 131950145
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 8815161
2-[1-[3-(3-methylbut-2-enoxy)benzoyl]piperidin-4-yl]acetic acid
CID 119178622
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950584
prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
CID 108564007
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326
7-methyl-3-(3-prop-2-enoxybenzoyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56743339

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone (CID 2993266) is (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone is C=CCOc1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone?
The InChIKey is JNXOGCRUOJDHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-11-19-15-6-4-5-14(12-15)16(18)17-9-7-13(2)8-10-17/h3-6,12-13H,1,7-11H2,2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone?
(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone has a molecular weight of 259.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 2993266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).