4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide

C24H37N3O3 — CID 69141376

IUPAC4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H37N3O3/c1-4-13-27(24(29)21-5-7-22(30-3)8-6-21)18-23(28)26-16-11-20(12-17-26)19-9-14-25(2)15-10-19/h5-8,19-20H,4,9-18H2,1-3H3
InChIKeyCSTQKQOOWWATHB-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.13
Rot. Bonds7

About 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide

4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide (PubChem CID 69141376) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
PubChem CID69141376
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H37N3O3/c1-4-13-27(24(29)21-5-7-22(30-3)8-6-21)18-23(28)26-16-11-20(12-17-26)19-9-14-25(2)15-10-19/h5-8,19-20H,4,9-18H2,1-3H3
InChIKeyCSTQKQOOWWATHB-UHFFFAOYSA-N
XLogP3.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 69142014
3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride
CID 69143063
6-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1-benzothiophene-2-carboxamide
CID 69142050
1-(4-methoxybenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005887
N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 22321691
4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 46333078
4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113163030
4-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylbenzamide
CID 4666319
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42832436

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide (CID 69141376) is 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide?
The InChIKey is CSTQKQOOWWATHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-4-13-27(24(29)21-5-7-22(30-3)8-6-21)18-23(28)26-16-11-20(12-17-26)19-9-14-25(2)15-10-19/h5-8,19-20H,4,9-18H2,1-3H3.
What are the key properties of 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide?
4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide has a molecular weight of 415.58 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 69141376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).