(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone

C14H20N2O3 — CID 81428147

IUPAC(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-10-9-16(7-6-15-10)14(17)11-4-5-12(18-2)13(8-11)19-3/h4-5,8,10,15H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyDVASVIGOXRDKMJ-JTQLQIEISA-N
MW264.32 g/mol
LogP1.14
Rot. Bonds3

About (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 81428147) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID81428147
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-10-9-16(7-6-15-10)14(17)11-4-5-12(18-2)13(8-11)19-3/h4-5,8,10,15H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyDVASVIGOXRDKMJ-JTQLQIEISA-N
XLogP1.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide
CID 125119722
[3-methoxy-4-(3-methylbutoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579815
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
(4-methoxy-3-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427141
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone (CID 81428147) is (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is DVASVIGOXRDKMJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-9-16(7-6-15-10)14(17)11-4-5-12(18-2)13(8-11)19-3/h4-5,8,10,15H,6-7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81428147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).