N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide

C21H33N3O — CID 8542398

IUPACN-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H33N3O/c1-17-12-18(2)14-24(13-17)16-21(25)22-20-8-10-23(11-9-20)15-19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyODRXLJQMMPGPHU-QZTJIDSGSA-N
MW343.51 g/mol
LogP2.75
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide (PubChem CID 8542398) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
PubChem CID8542398
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H33N3O/c1-17-12-18(2)14-24(13-17)16-21(25)22-20-8-10-23(11-9-20)15-19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyODRXLJQMMPGPHU-QZTJIDSGSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 45281619
2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120599363
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
CID 134804091
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide (CID 8542398) is N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide is C[C@@H]1C[C@@H](C)CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide?
The InChIKey is ODRXLJQMMPGPHU-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17-12-18(2)14-24(13-17)16-21(25)22-20-8-10-23(11-9-20)15-19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3,(H,22,25)/t17-,18-/m1/s1.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide has a molecular weight of 343.51 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8542398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).