(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone

C18H26N2O3 — CID 119562615

IUPAC(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESC=CCc1cc(C(=O)N2CCC(NC)CC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O3/c1-5-6-13-11-14(12-16(22-3)17(13)23-4)18(21)20-9-7-15(19-2)8-10-20/h5,11-12,15,19H,1,6-10H2,2-4H3
InChIKeyDEOHXIBGXPKGFS-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.26
Rot. Bonds6

About (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone

(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119562615) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119562615
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESC=CCc1cc(C(=O)N2CCC(NC)CC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O3/c1-5-6-13-11-14(12-16(22-3)17(13)23-4)18(21)20-9-7-15(19-2)8-10-20/h5,11-12,15,19H,1,6-10H2,2-4H3
InChIKeyDEOHXIBGXPKGFS-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562614
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone
CID 119624177
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone;hydrochloride
CID 119485915
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone
CID 112836488
(3,4-dimethoxy-5-prop-2-enylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996854
1-[4-[4-(3,4-dimethoxy-5-prop-2-enylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 27009194
[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119564114
(3R,4R)-4-cyclopropyl-1-(3,4-dimethoxy-5-prop-2-enylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120978433
(3,4-dimethoxy-5-prop-2-enylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 71927979
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119562615) is (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone is C=CCc1cc(C(=O)N2CCC(NC)CC2)cc(OC)c1OC.
What is the InChIKey of (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DEOHXIBGXPKGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-6-13-11-14(12-16(22-3)17(13)23-4)18(21)20-9-7-15(19-2)8-10-20/h5,11-12,15,19H,1,6-10H2,2-4H3.
What are the key properties of (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119562615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).