3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide

C25H34N2O3 — CID 125044041

IUPAC3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC
InChIInChI=1S/C25H34N2O3/c1-18-6-5-15-27(17-18)22-11-9-21(10-12-22)19(2)26-25(28)14-8-20-7-13-23(29-3)24(16-20)30-4/h7,9-13,16,18-19H,5-6,8,14-15,17H2,1-4H3,(H,26,28)/t18-,19+/m0/s1
InChIKeyUAHNKMNNXKCPLH-RBUKOAKNSA-N
MW410.56 g/mol
LogP4.75
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide (PubChem CID 125044041) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
PubChem CID125044041
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC
InChIInChI=1S/C25H34N2O3/c1-18-6-5-15-27(17-18)22-11-9-21(10-12-22)19(2)26-25(28)14-8-20-7-13-23(29-3)24(16-20)30-4/h7,9-13,16,18-19H,5-6,8,14-15,17H2,1-4H3,(H,26,28)/t18-,19+/m0/s1
InChIKeyUAHNKMNNXKCPLH-RBUKOAKNSA-N
XLogP4.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.75
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

3-(4-methoxy-3-methylphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125054267
3-(3,4-dichlorophenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 133220736
3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132654688
2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369
2-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125044027
3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 100513980
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43896720
3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125043959
2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132657062
2-(2,4-dichlorophenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042477
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125042550
3-(4-methylphenyl)sulfanyl-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132660585

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide (CID 125044041) is 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide is COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
The InChIKey is UAHNKMNNXKCPLH-RBUKOAKNSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-18-6-5-15-27(17-18)22-11-9-21(10-12-22)19(2)26-25(28)14-8-20-7-13-23(29-3)24(16-20)30-4/h7,9-13,16,18-19H,5-6,8,14-15,17H2,1-4H3,(H,26,28)/t18-,19+/m0/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide has a molecular weight of 410.56 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide is sourced from PubChem (CID 125044041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).