3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide

C27H30N2O — CID 19970196

IUPAC3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide
SMILESNC(=O)C(CC1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O/c28-26(30)27(24-12-6-2-7-13-24,25-14-8-3-9-15-25)20-22-16-18-29(19-17-22)21-23-10-4-1-5-11-23/h1-15,22H,16-21H2,(H2,28,30)
InChIKeyMJEMPNKQWMYRSS-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.76
Rot. Bonds7

About 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide

3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide (PubChem CID 19970196) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide
PubChem CID19970196
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide
SMILESNC(=O)C(CC1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O/c28-26(30)27(24-12-6-2-7-13-24,25-14-8-3-9-15-25)20-22-16-18-29(19-17-22)21-23-10-4-1-5-11-23/h1-15,22H,16-21H2,(H2,28,30)
InChIKeyMJEMPNKQWMYRSS-UHFFFAOYSA-N
XLogP4.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide
CID 136580049
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
(1-benzylpiperidin-4-yl)-diphenylmethanamine
CID 154244173
3-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2,2-diphenylpropanoic acid;hydrochloride
CID 25120361
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
5-(1-benzylpiperidin-4-yl)pentanethioamide
CID 139624929
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
(1-benzylpiperidin-4-yl)methanesulfonic acid
CID 150183274
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide
CID 86750726

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide (CID 19970196) is 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide is NC(=O)C(CC1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide?
The InChIKey is MJEMPNKQWMYRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c28-26(30)27(24-12-6-2-7-13-24,25-14-8-3-9-15-25)20-22-16-18-29(19-17-22)21-23-10-4-1-5-11-23/h1-15,22H,16-21H2,(H2,28,30).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide?
3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide has a molecular weight of 398.55 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide is sourced from PubChem (CID 19970196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).