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

C20H30N4O2 — CID 125146001

IUPACN-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
SMILESC[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)CN1CCNCC1=O
InChIInChI=1S/C20H30N4O2/c1-16-13-23(14-17-6-4-3-5-7-17)10-8-18(16)22(2)20(26)15-24-11-9-21-12-19(24)25/h3-7,16,18,21H,8-15H2,1-2H3/t16-,18-/m1/s1
InChIKeyBMDGZFREIFCLQS-SJLPKXTDSA-N
MW358.49 g/mol
LogP0.79
Rot. Bonds5

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

N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide (PubChem CID 125146001) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
PubChem CID125146001
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
SMILESC[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)CN1CCNCC1=O
InChIInChI=1S/C20H30N4O2/c1-16-13-23(14-17-6-4-3-5-7-17)10-8-18(16)22(2)20(26)15-24-11-9-21-12-19(24)25/h3-7,16,18,21H,8-15H2,1-2H3/t16-,18-/m1/s1
InChIKeyBMDGZFREIFCLQS-SJLPKXTDSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 124693294
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
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
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 98773676
1-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 96533752
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide
CID 100624175
1-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 96533749
(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
CID 99606871

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide (CID 125146001) is N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide is C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)CN1CCNCC1=O.
What is the InChIKey of N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
The InChIKey is BMDGZFREIFCLQS-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-13-23(14-17-6-4-3-5-7-17)10-8-18(16)22(2)20(26)15-24-11-9-21-12-19(24)25/h3-7,16,18,21H,8-15H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 125146001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).