N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide

C17H27N3O — CID 125145982

IUPACN-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C17H27N3O/c1-14-12-20(13-15-7-5-4-6-8-15)10-9-16(14)19(3)17(21)11-18-2/h4-8,14,16,18H,9-13H2,1-3H3/t14-,16+/m1/s1
InChIKeyBDLHYPLZEHHBHX-ZBFHGGJFSA-N
MW289.42 g/mol
LogP1.57
Rot. Bonds5

About N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide

N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide (PubChem CID 125145982) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
PubChem CID125145982
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C17H27N3O/c1-14-12-20(13-15-7-5-4-6-8-15)10-9-16(14)19(3)17(21)11-18-2/h4-8,14,16,18H,9-13H2,1-3H3/t14-,16+/m1/s1
InChIKeyBDLHYPLZEHHBHX-ZBFHGGJFSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 125146001
1-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 96533749
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 98773676
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide
CID 100624175
(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
CID 99606871
(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124683430
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
1-(1-benzyl-3-methylpiperidin-4-yl)-3-[3-chloro-2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 71847774

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide (CID 125145982) is N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C.
What is the InChIKey of N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is BDLHYPLZEHHBHX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-12-20(13-15-7-5-4-6-8-15)10-9-16(14)19(3)17(21)11-18-2/h4-8,14,16,18H,9-13H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide?
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 125145982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).