(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide

C22H35N3O — CID 70738202

IUPAC(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@@H](N)C1CCCCC1
InChIInChI=1S/C22H35N3O/c1-24(22(26)21(23)20-10-6-3-7-11-20)16-19-12-14-25(15-13-19)17-18-8-4-2-5-9-18/h2,4-5,8-9,19-21H,3,6-7,10-17,23H2,1H3/t21-/m0/s1
InChIKeyLDMREVLYVKDTFQ-NRFANRHFSA-N
MW357.54 g/mol
LogP3.26
Rot. Bonds6

About (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide

(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide (PubChem CID 70738202) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
PubChem CID70738202
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@@H](N)C1CCCCC1
InChIInChI=1S/C22H35N3O/c1-24(22(26)21(23)20-10-6-3-7-11-20)16-19-12-14-25(15-13-19)17-18-8-4-2-5-9-18/h2,4-5,8-9,19-21H,3,6-7,10-17,23H2,1H3/t21-/m0/s1
InChIKeyLDMREVLYVKDTFQ-NRFANRHFSA-N
XLogP3.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-2-hydroxy-N-methylacetamide
CID 70783649
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66565350
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
CID 77143822
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-methylpropanamide
CID 121226071
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide?
The IUPAC name of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide (CID 70738202) is (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide is CN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@@H](N)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide?
The InChIKey is LDMREVLYVKDTFQ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H35N3O/c1-24(22(26)21(23)20-10-6-3-7-11-20)16-19-12-14-25(15-13-19)17-18-8-4-2-5-9-18/h2,4-5,8-9,19-21H,3,6-7,10-17,23H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide?
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide has a molecular weight of 357.54 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 70738202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).