3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide

C24H39N3O — CID 118755533

IUPAC3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C)C1CCCCC1
InChIInChI=1S/C24H39N3O/c1-25(2)23-16-17-27(18-20-10-6-4-7-11-20)19-21(23)14-15-24(28)26(3)22-12-8-5-9-13-22/h4,6-7,10-11,21-23H,5,8-9,12-19H2,1-3H3/t21-,23+/m0/s1
InChIKeyHOMBPEMJESZSGF-JTHBVZDNSA-N
MW385.60 g/mol
LogP4.01
Rot. Bonds7

About 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide

3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide (PubChem CID 118755533) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide
PubChem CID118755533
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC Name3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C)C1CCCCC1
InChIInChI=1S/C24H39N3O/c1-25(2)23-16-17-27(18-20-10-6-4-7-11-20)19-21(23)14-15-24(28)26(3)22-12-8-5-9-13-22/h4,6-7,10-11,21-23H,5,8-9,12-19H2,1-3H3/t21-,23+/m0/s1
InChIKeyHOMBPEMJESZSGF-JTHBVZDNSA-N
XLogP4.01
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4R)-1-[(3-chlorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid
CID 118760371
3-[[(3S,4R)-3-(2-carboxyethyl)-4-(dimethylamino)piperidin-1-yl]methyl]benzoic acid
CID 133122833
N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 136511620
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
methyl 3-[(3S,4R)-4-(dimethylamino)-1-(2,2-diphenylethyl)piperidin-3-yl]propanoate
CID 26354515
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
3-[(3S,4R)-1-[(3-chlorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]-N-(2-methoxyethyl)propanamide
CID 42382097

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide (CID 118755533) is 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide is CN(C(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C)C1CCCCC1.
What is the InChIKey of 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide?
The InChIKey is HOMBPEMJESZSGF-JTHBVZDNSA-N. The full InChI is InChI=1S/C24H39N3O/c1-25(2)23-16-17-27(18-20-10-6-4-7-11-20)19-21(23)14-15-24(28)26(3)22-12-8-5-9-13-22/h4,6-7,10-11,21-23H,5,8-9,12-19H2,1-3H3/t21-,23+/m0/s1.
What are the key properties of 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide?
3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide has a molecular weight of 385.60 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 118755533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).