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

C20H30N4O2 — CID 124693294

IUPACN-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
SMILESC[C@H]1C[C@H](N(C)C(=O)CN2CCNCC2=O)CCN1Cc1ccccc1
InChIInChI=1S/C20H30N4O2/c1-16-12-18(8-10-23(16)14-17-6-4-3-5-7-17)22(2)20(26)15-24-11-9-21-13-19(24)25/h3-7,16,18,21H,8-15H2,1-2H3/t16-,18+/m0/s1
InChIKeyKRGRLKKHONVDAB-FUHWJXTLSA-N
MW358.49 g/mol
LogP0.93
Rot. Bonds5

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

N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide (PubChem CID 124693294) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
PubChem CID124693294
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
SMILESC[C@H]1C[C@H](N(C)C(=O)CN2CCNCC2=O)CCN1Cc1ccccc1
InChIInChI=1S/C20H30N4O2/c1-16-12-18(8-10-23(16)14-17-6-4-3-5-7-17)22(2)20(26)15-24-11-9-21-13-19(24)25/h3-7,16,18,21H,8-15H2,1-2H3/t16-,18+/m0/s1
InChIKeyKRGRLKKHONVDAB-FUHWJXTLSA-N
XLogP0.93
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 125146001
N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 95632729
3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982758
(3S)-3-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 125120935
N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119883087
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
CID 120941555
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119883053

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide (CID 124693294) is N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide is C[C@H]1C[C@H](N(C)C(=O)CN2CCNCC2=O)CCN1Cc1ccccc1.
What is the InChIKey of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
The InChIKey is KRGRLKKHONVDAB-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-12-18(8-10-23(16)14-17-6-4-3-5-7-17)22(2)20(26)15-24-11-9-21-13-19(24)25/h3-7,16,18,21H,8-15H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 124693294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).