(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone

C17H24N2O5 — CID 122135627

IUPAC(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CC3OCCO3)CC2)c1
InChIInChI=1S/C17H24N2O5/c1-21-14-9-13(10-15(11-14)22-2)17(20)19-5-3-18(4-6-19)12-16-23-7-8-24-16/h9-11,16H,3-8,12H2,1-2H3
InChIKeyCHZUQKSGIPPGOJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.83
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 122135627) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID122135627
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CC3OCCO3)CC2)c1
InChIInChI=1S/C17H24N2O5/c1-21-14-9-13(10-15(11-14)22-2)17(20)19-5-3-18(4-6-19)12-16-23-7-8-24-16/h9-11,16H,3-8,12H2,1-2H3
InChIKeyCHZUQKSGIPPGOJ-UHFFFAOYSA-N
XLogP0.83
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81093481
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576
(3-amino-5-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 81090979
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
[4-[[(2S)-4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92989684
N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide
CID 35155323
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 78945956
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 122135627) is (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(CC3OCCO3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is CHZUQKSGIPPGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-21-14-9-13(10-15(11-14)22-2)17(20)19-5-3-18(4-6-19)12-16-23-7-8-24-16/h9-11,16H,3-8,12H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 336.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 122135627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).