2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide

C24H32N2O — CID 100711058

IUPAC2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C
InChIInChI=1S/C24H32N2O/c1-16-10-12-26(13-11-16)22-8-6-21(7-9-22)20(5)25-24(27)23-15-18(3)17(2)14-19(23)4/h6-9,14-16,20H,10-13H2,1-5H3,(H,25,27)/t20-/m1/s1
InChIKeyKHRFIYNRTMHULO-HXUWFJFHSA-N
MW364.53 g/mol
LogP5.34
Rot. Bonds4

About 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide

2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide (PubChem CID 100711058) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
PubChem CID100711058
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C
InChIInChI=1S/C24H32N2O/c1-16-10-12-26(13-11-16)22-8-6-21(7-9-22)20(5)25-24(27)23-15-18(3)17(2)14-19(23)4/h6-9,14-16,20H,10-13H2,1-5H3,(H,25,27)/t20-/m1/s1
InChIKeyKHRFIYNRTMHULO-HXUWFJFHSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.34
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-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide
CID 132655322
2-(3,4-dimethylphenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132654687
3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100614102
2-chloro-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 110244400
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-nitrobenzamide
CID 99994784
2-benzylsulfanyl-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132673259
4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
CID 132659687
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230614
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 125048994

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide (CID 100711058) is 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide is Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is KHRFIYNRTMHULO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N2O/c1-16-10-12-26(13-11-16)22-8-6-21(7-9-22)20(5)25-24(27)23-15-18(3)17(2)14-19(23)4/h6-9,14-16,20H,10-13H2,1-5H3,(H,25,27)/t20-/m1/s1.
What are the key properties of 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 364.53 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 100711058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).