3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide

C20H31N3O2 — CID 97239927

IUPAC3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide
SMILESCCN1CC[C@@H](N(C)C(=O)CCc2cccc(C(=O)NC)c2)[C@H](C)C1
InChIInChI=1S/C20H31N3O2/c1-5-23-12-11-18(15(2)14-23)22(4)19(24)10-9-16-7-6-8-17(13-16)20(25)21-3/h6-8,13,15,18H,5,9-12,14H2,1-4H3,(H,21,25)/t15-,18-/m1/s1
InChIKeyDFNPEZCWWWVALW-CRAIPNDOSA-N
MW345.49 g/mol
LogP2.17
Rot. Bonds6

About 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide

3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide (PubChem CID 97239927) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide
PubChem CID97239927
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide
SMILESCCN1CC[C@@H](N(C)C(=O)CCc2cccc(C(=O)NC)c2)[C@H](C)C1
InChIInChI=1S/C20H31N3O2/c1-5-23-12-11-18(15(2)14-23)22(4)19(24)10-9-16-7-6-8-17(13-16)20(25)21-3/h6-8,13,15,18H,5,9-12,14H2,1-4H3,(H,21,25)/t15-,18-/m1/s1
InChIKeyDFNPEZCWWWVALW-CRAIPNDOSA-N
XLogP2.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166198840
2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
CID 120517535
(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124683430
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
3-[3-(1,4-diazabicyclo[3.2.1]octan-4-yl)-3-oxopropyl]-N-methylbenzamide
CID 138035784
1-[3-[3-(methylcarbamoyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 120512559
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
2-[3-[3-(methylcarbamoyl)phenyl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 120517155
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 120776448
3-ethyl-N-methylbenzamide
CID 59115297
2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cyclooctane-1-carboxylic acid
CID 120532940
3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide
CID 98873287

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide?
The IUPAC name of 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide (CID 97239927) is 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide.
What is the SMILES notation for 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide?
The canonical SMILES for 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide is CCN1CC[C@@H](N(C)C(=O)CCc2cccc(C(=O)NC)c2)[C@H](C)C1.
What is the InChIKey of 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide?
The InChIKey is DFNPEZCWWWVALW-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-23-12-11-18(15(2)14-23)22(4)19(24)10-9-16-7-6-8-17(13-16)20(25)21-3/h6-8,13,15,18H,5,9-12,14H2,1-4H3,(H,21,25)/t15-,18-/m1/s1.
What are the key properties of 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide?
3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide has a molecular weight of 345.49 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide is sourced from PubChem (CID 97239927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).