(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide

C15H24N3O3+ — CID 7428285

IUPAC(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide
SMILESCOc1ccc(OC)c(C[NH+]2CCC[C@H](C(=O)NN)C2)c1
InChIInChI=1S/C15H23N3O3/c1-20-13-5-6-14(21-2)12(8-13)10-18-7-3-4-11(9-18)15(19)17-16/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3,(H,17,19)/p+1/t11-/m0/s1
InChIKeyXRUAGXKLHRBGIY-NSHDSACASA-O
MW294.38 g/mol
LogP-0.51
Rot. Bonds5

About (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide

(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide (PubChem CID 7428285) has the molecular formula C15H24N3O3+ and a molecular weight of 294.38 g/mol. Its IUPAC name is (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide
PubChem CID7428285
Molecular FormulaC15H24N3O3+
Molecular Weight294.38 g/mol
Exact Mass294.18
IUPAC Name(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide
SMILESCOc1ccc(OC)c(C[NH+]2CCC[C@H](C(=O)NN)C2)c1
InChIInChI=1S/C15H23N3O3/c1-20-13-5-6-14(21-2)12(8-13)10-18-7-3-4-11(9-18)15(19)17-16/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3,(H,17,19)/p+1/t11-/m0/s1
InChIKeyXRUAGXKLHRBGIY-NSHDSACASA-O
XLogP-0.51
TPSA78.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol
CID 2173552
(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-carbohydrazide
CID 7428250
piperidin-1-yl-[(3S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone
CID 1389078
[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone
CID 4746691
1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
CID 4745687
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 9442824
1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-ethylpiperazine-1,4-diium
CID 4754357
N-cyclohexyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide
CID 8787517
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-3-methylpiperidin-1-ium
CID 6943194
(E)-3-(4-methoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one
CID 8830045
(3R)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305747
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7098465

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide?
The IUPAC name of (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide (CID 7428285) is (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide.
What is the SMILES notation for (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide?
The canonical SMILES for (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide is COc1ccc(OC)c(C[NH+]2CCC[C@H](C(=O)NN)C2)c1.
What is the InChIKey of (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide?
The InChIKey is XRUAGXKLHRBGIY-NSHDSACASA-O. The full InChI is InChI=1S/C15H23N3O3/c1-20-13-5-6-14(21-2)12(8-13)10-18-7-3-4-11(9-18)15(19)17-16/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3,(H,17,19)/p+1/t11-/m0/s1.
What are the key properties of (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide?
(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide has a molecular weight of 294.38 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carbohydrazide is sourced from PubChem (CID 7428285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).