N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide

C25H32N2O2 — CID 108962285

IUPACN-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-25(2,23(28)26(3)19-22-12-8-5-9-13-22)24(29)27-16-14-21(15-17-27)18-20-10-6-4-7-11-20/h4-13,21H,14-19H2,1-3H3
InChIKeyCXEBVIUWFZSRGD-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.15
Rot. Bonds6

About N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide

N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide (PubChem CID 108962285) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide
PubChem CID108962285
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-25(2,23(28)26(3)19-22-12-8-5-9-13-22)24(29)27-16-14-21(15-17-27)18-20-10-6-4-7-11-20/h4-13,21H,14-19H2,1-3H3
InChIKeyCXEBVIUWFZSRGD-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 60866270
1-(4-benzylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62833273
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119671917
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503370
2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide
CID 108503636
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971633
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide?
The IUPAC name of N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide (CID 108962285) is N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide.
What is the SMILES notation for N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide?
The canonical SMILES for N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide is CN(Cc1ccccc1)C(=O)C(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide?
The InChIKey is CXEBVIUWFZSRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-25(2,23(28)26(3)19-22-12-8-5-9-13-22)24(29)27-16-14-21(15-17-27)18-20-10-6-4-7-11-20/h4-13,21H,14-19H2,1-3H3.
What are the key properties of N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide?
N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide has a molecular weight of 392.54 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide is sourced from PubChem (CID 108962285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).