3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide

C23H30N2O2 — CID 119825677

IUPAC3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(OCc2cccc(C)c2)c1)C1CCNCC1
InChIInChI=1S/C23H30N2O2/c1-3-14-25(21-10-12-24-13-11-21)23(26)20-8-5-9-22(16-20)27-17-19-7-4-6-18(2)15-19/h4-9,15-16,21,24H,3,10-14,17H2,1-2H3
InChIKeyZWZMOGKWIXVEOQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.18
Rot. Bonds7

About 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide

3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119825677) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119825677
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(OCc2cccc(C)c2)c1)C1CCNCC1
InChIInChI=1S/C23H30N2O2/c1-3-14-25(21-10-12-24-13-11-21)23(26)20-8-5-9-22(16-20)27-17-19-7-4-6-18(2)15-19/h4-9,15-16,21,24H,3,10-14,17H2,1-2H3
InChIKeyZWZMOGKWIXVEOQ-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825259
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119824790
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823512
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 112819893

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide (CID 119825677) is 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1cccc(OCc2cccc(C)c2)c1)C1CCNCC1.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is ZWZMOGKWIXVEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-14-25(21-10-12-24-13-11-21)23(26)20-8-5-9-22(16-20)27-17-19-7-4-6-18(2)15-19/h4-9,15-16,21,24H,3,10-14,17H2,1-2H3.
What are the key properties of 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide?
3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119825677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).