[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C15H22N2O4 — CID 81469626

IUPAC[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCNC1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C15H22N2O4/c1-16-11-5-6-17(9-11)15(18)10-7-12(19-2)14(21-4)13(8-10)20-3/h7-8,11,16H,5-6,9H2,1-4H3
InChIKeyHYMKEDDRBOHANH-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.15
Rot. Bonds5

About [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 81469626) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID81469626
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCNC1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C15H22N2O4/c1-16-11-5-6-17(9-11)15(18)10-7-12(19-2)14(21-4)13(8-10)20-3/h7-8,11,16H,5-6,9H2,1-4H3
InChIKeyHYMKEDDRBOHANH-UHFFFAOYSA-N
XLogP1.15
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxy-4-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493630
(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413635
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119564114
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562615
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562614
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(4-methoxy-3-nitrophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413913
N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
CID 108555226
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 81469626) is [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is CNC1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is HYMKEDDRBOHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16-11-5-6-17(9-11)15(18)10-7-12(19-2)14(21-4)13(8-10)20-3/h7-8,11,16H,5-6,9H2,1-4H3.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 81469626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).