3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide

C23H30N2O3 — CID 132657563

IUPAC3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C23H30N2O3/c1-16-6-5-11-25(15-16)20-9-7-18(8-10-20)17(2)24-23(26)19-12-21(27-3)14-22(13-19)28-4/h7-10,12-14,16-17H,5-6,11,15H2,1-4H3,(H,24,26)
InChIKeyTZOFTBAJPOCNAW-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.43
Rot. Bonds6

About 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide

3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide (PubChem CID 132657563) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
PubChem CID132657563
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C23H30N2O3/c1-16-6-5-11-25(15-16)20-9-7-18(8-10-20)17(2)24-23(26)19-12-21(27-3)14-22(13-19)28-4/h7-10,12-14,16-17H,5-6,11,15H2,1-4H3,(H,24,26)
InChIKeyTZOFTBAJPOCNAW-UHFFFAOYSA-N
XLogP4.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042505
N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide
CID 125044064
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-phenylbenzamide
CID 125042587
4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
CID 132659686
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125043999
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]pyridine-3-carboxamide
CID 100629639
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-nitrobenzamide
CID 125042570
4-(azepan-1-ylmethyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125044162
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-(methylsulfamoyl)benzamide
CID 100622287
2,4-dichloro-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 99994549

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide (CID 132657563) is 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide is COc1cc(OC)cc(C(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is TZOFTBAJPOCNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16-6-5-11-25(15-16)20-9-7-18(8-10-20)17(2)24-23(26)19-12-21(27-3)14-22(13-19)28-4/h7-10,12-14,16-17H,5-6,11,15H2,1-4H3,(H,24,26).
What are the key properties of 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 132657563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).