3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride

C19H30ClN3O4 — CID 119443929

IUPAC3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)ccc1OCC(=O)NC(C)C.Cl
InChIInChI=1S/C19H29N3O4.ClH/c1-13(2)21-18(23)12-26-16-6-5-14(11-17(16)25-4)19(24)22(3)15-7-9-20-10-8-15;/h5-6,11,13,15,20H,7-10,12H2,1-4H3,(H,21,23);1H
InChIKeyDTGSSKXJFLXQQT-UHFFFAOYSA-N
MW399.92 g/mol
LogP1.84
Rot. Bonds7

About 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride

3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119443929) has the molecular formula C19H30ClN3O4 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119443929
Molecular FormulaC19H30ClN3O4
Molecular Weight399.92 g/mol
Exact Mass399.19
IUPAC Name3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)ccc1OCC(=O)NC(C)C.Cl
InChIInChI=1S/C19H29N3O4.ClH/c1-13(2)21-18(23)12-26-16-6-5-14(11-17(16)25-4)19(24)22(3)15-7-9-20-10-8-15;/h5-6,11,13,15,20H,7-10,12H2,1-4H3,(H,21,23);1H
InChIKeyDTGSSKXJFLXQQT-UHFFFAOYSA-N
XLogP1.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride 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

3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119444457
2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 120657442
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552147
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate
CID 55774982

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride (CID 119443929) is 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride is COc1cc(C(=O)N(C)C2CCNCC2)ccc1OCC(=O)NC(C)C.Cl.
What is the InChIKey of 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is DTGSSKXJFLXQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4.ClH/c1-13(2)21-18(23)12-26-16-6-5-14(11-17(16)25-4)19(24)22(3)15-7-9-20-10-8-15;/h5-6,11,13,15,20H,7-10,12H2,1-4H3,(H,21,23);1H.
What are the key properties of 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride?
3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119443929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).