3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide

C24H32N2O — CID 132654688

IUPAC3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-18-6-8-21(9-7-18)10-15-24(27)25-20(3)22-11-13-23(14-12-22)26-16-4-5-19(2)17-26/h6-9,11-14,19-20H,4-5,10,15-17H2,1-3H3,(H,25,27)
InChIKeyLUBZZXMOPKTLCR-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.04
Rot. Bonds6

About 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide

3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide (PubChem CID 132654688) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
PubChem CID132654688
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-18-6-8-21(9-7-18)10-15-24(27)25-20(3)22-11-13-23(14-12-22)26-16-4-5-19(2)17-26/h6-9,11-14,19-20H,4-5,10,15-17H2,1-3H3,(H,25,27)
InChIKeyLUBZZXMOPKTLCR-UHFFFAOYSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125044027
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
3-(3,4-dichlorophenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 133220736
3-(4-methoxy-3-methylphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125054267
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125044041
2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369
3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 100513980
2-(N-(4-methylphenyl)sulfonylanilino)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43893613
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920
(E)-3-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]prop-2-enamide
CID 125042583
(E)-3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 132654537

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide (CID 132654688) is 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide is Cc1ccc(CCC(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide?
The InChIKey is LUBZZXMOPKTLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-18-6-8-21(9-7-18)10-15-24(27)25-20(3)22-11-13-23(14-12-22)26-16-4-5-19(2)17-26/h6-9,11-14,19-20H,4-5,10,15-17H2,1-3H3,(H,25,27).
What are the key properties of 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide?
3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide has a molecular weight of 364.53 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 132654688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).