N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide

C19H29N3O4 — CID 119796031

IUPACN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H29N3O4/c1-13(12-20-2)18(23)21-15-7-9-22(10-8-15)19(24)14-5-6-16(25-3)17(11-14)26-4/h5-6,11,13,15,20H,7-10,12H2,1-4H3,(H,21,23)
InChIKeySQQFIKXNAVRVGM-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.28
Rot. Bonds7

About N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide

N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119796031) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
PubChem CID119796031
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H29N3O4/c1-13(12-20-2)18(23)21-15-7-9-22(10-8-15)19(24)14-5-6-16(25-3)17(11-14)26-4/h5-6,11,13,15,20H,7-10,12H2,1-4H3,(H,21,23)
InChIKeySQQFIKXNAVRVGM-UHFFFAOYSA-N
XLogP1.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119330531
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552495
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 119330538
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide (CID 119796031) is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is SQQFIKXNAVRVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13(12-20-2)18(23)21-15-7-9-22(10-8-15)19(24)14-5-6-16(25-3)17(11-14)26-4/h5-6,11,13,15,20H,7-10,12H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide?
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 363.46 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119796031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).