2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide

C19H30N2O — CID 16895479

IUPAC2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCC2CCN(C(C)C)CC2)c(C)c1
InChIInChI=1S/C19H30N2O/c1-13(2)21-8-6-17(7-9-21)12-20-19(22)18-15(4)10-14(3)11-16(18)5/h10-11,13,17H,6-9,12H2,1-5H3,(H,20,22)
InChIKeyJOMICNZDAMKCMJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.46
Rot. Bonds4

About 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide

2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 16895479) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID16895479
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCC2CCN(C(C)C)CC2)c(C)c1
InChIInChI=1S/C19H30N2O/c1-13(2)21-8-6-17(7-9-21)12-20-19(22)18-15(4)10-14(3)11-16(18)5/h10-11,13,17H,6-9,12H2,1-5H3,(H,20,22)
InChIKeyJOMICNZDAMKCMJ-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
AR-M1000390
CID 9841259
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
3-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 2826771
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
3-methyl-N-(2-phenylethyl)benzamide
CID 723531
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-benzamide
CID 775004
Azd-5213
CID 53342708

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide (CID 16895479) is 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide is Cc1cc(C)c(C(=O)NCC2CCN(C(C)C)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is JOMICNZDAMKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-13(2)21-8-6-17(7-9-21)12-20-19(22)18-15(4)10-14(3)11-16(18)5/h10-11,13,17H,6-9,12H2,1-5H3,(H,20,22).
What are the key properties of 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 302.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 16895479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).