(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

C15H22N2O4 — CID 43635827

IUPAC(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(N)CC2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-5-4-11(13(20-2)14(12)21-3)15(18)17-8-6-10(16)7-9-17/h4-5,10H,6-9,16H2,1-3H3
InChIKeyLZFFDEAOQJLTDA-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.28
Rot. Bonds4

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

(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 43635827) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID43635827
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(N)CC2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-5-4-11(13(20-2)14(12)21-3)15(18)17-8-6-10(16)7-9-17/h4-5,10H,6-9,16H2,1-3H3
InChIKeyLZFFDEAOQJLTDA-UHFFFAOYSA-N
XLogP1.28
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 62069454
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 121187010
(2S)-2-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119342570
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
CID 119464967
1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 126814847
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90590184
3-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119342573
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (CID 43635827) is (4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(N)CC2)c(OC)c1OC.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is LZFFDEAOQJLTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-5-4-11(13(20-2)14(12)21-3)15(18)17-8-6-10(16)7-9-17/h4-5,10H,6-9,16H2,1-3H3.
What are the key properties of (4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 43635827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).