N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide

C21H29N3O — CID 166072094

IUPACN-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1cnc(C(C)(C)NC(=O)CC2CCCCN2C)c2ccccc12
InChIInChI=1S/C21H29N3O/c1-15-14-22-20(18-11-6-5-10-17(15)18)21(2,3)23-19(25)13-16-9-7-8-12-24(16)4/h5-6,10-11,14,16H,7-9,12-13H2,1-4H3,(H,23,25)
InChIKeyIJTQSWPXNBKQDN-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.77
Rot. Bonds4

About N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide

N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide (PubChem CID 166072094) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
PubChem CID166072094
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1cnc(C(C)(C)NC(=O)CC2CCCCN2C)c2ccccc12
InChIInChI=1S/C21H29N3O/c1-15-14-22-20(18-11-6-5-10-17(15)18)21(2,3)23-19(25)13-16-9-7-8-12-24(16)4/h5-6,10-11,14,16H,7-9,12-13H2,1-4H3,(H,23,25)
InChIKeyIJTQSWPXNBKQDN-UHFFFAOYSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072170
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072120
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 168742135
N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072004
N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072006
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072035
N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
N-(2-ethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857732

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide?
The IUPAC name of N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide (CID 166072094) is N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide?
The canonical SMILES for N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide is Cc1cnc(C(C)(C)NC(=O)CC2CCCCN2C)c2ccccc12.
What is the InChIKey of N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide?
The InChIKey is IJTQSWPXNBKQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15-14-22-20(18-11-6-5-10-17(15)18)21(2,3)23-19(25)13-16-9-7-8-12-24(16)4/h5-6,10-11,14,16H,7-9,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide?
N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide has a molecular weight of 339.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide is sourced from PubChem (CID 166072094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).