N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide

C21H26N2O — CID 120598997

IUPACN-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
SMILESCC1CC(NC(=O)CC(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C21H26N2O/c1-16-14-19(12-13-22-16)23-21(24)15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,22H,12-15H2,1H3,(H,23,24)
InChIKeyYJCAGUIYKPMFEB-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.47
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide

N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide (PubChem CID 120598997) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
PubChem CID120598997
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
SMILESCC1CC(NC(=O)CC(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C21H26N2O/c1-16-14-19(12-13-22-16)23-21(24)15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,22H,12-15H2,1H3,(H,23,24)
InChIKeyYJCAGUIYKPMFEB-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
CID 120598618
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
CID 106995320
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546
N-(2-methylpiperidin-4-yl)-2-phenylmethoxyacetamide
CID 120597809
N-(2-methylpiperidin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 120599788
2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide
CID 120599851
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601411
2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120599363
4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120600948

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide (CID 120598997) is N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide is CC1CC(NC(=O)CC(c2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide?
The InChIKey is YJCAGUIYKPMFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-14-19(12-13-22-16)23-21(24)15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,22H,12-15H2,1H3,(H,23,24).
What are the key properties of N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide?
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide is sourced from PubChem (CID 120598997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).