(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

C19H28N2O4 — CID 60559089

IUPAC(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(N3CCCC3)C2)c(OC)c1OC
InChIInChI=1S/C19H28N2O4/c1-23-16-9-8-15(17(24-2)18(16)25-3)19(22)21-12-6-7-14(13-21)20-10-4-5-11-20/h8-9,14H,4-7,10-13H2,1-3H3
InChIKeyOPHOUIZRDVLHJH-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.41
Rot. Bonds5

About (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 60559089) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID60559089
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(N3CCCC3)C2)c(OC)c1OC
InChIInChI=1S/C19H28N2O4/c1-23-16-9-8-15(17(24-2)18(16)25-3)19(22)21-12-6-7-14(13-21)20-10-4-5-11-20/h8-9,14H,4-7,10-13H2,1-3H3
InChIKeyOPHOUIZRDVLHJH-UHFFFAOYSA-N
XLogP2.41
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 45181952
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
CID 119464967
(2,3-dimethoxyphenyl)-[(3S)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]methanone
CID 124741062
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 35288880
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 62069454
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
(1R,5S)-6-methyl-3-(2,3,4-trimethoxybenzoyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133131521
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717

Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (CID 60559089) is (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCCC(N3CCCC3)C2)c(OC)c1OC.
What is the InChIKey of (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is OPHOUIZRDVLHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-23-16-9-8-15(17(24-2)18(16)25-3)19(22)21-12-6-7-14(13-21)20-10-4-5-11-20/h8-9,14H,4-7,10-13H2,1-3H3.
What are the key properties of (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 348.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 60559089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).