2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide

C16H25N7O — CID 119826160

IUPAC2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide
SMILESCCCN(C(=O)CN(C)c1ncnc2nc[nH]c12)C1CCNCC1
InChIInChI=1S/C16H25N7O/c1-3-8-23(12-4-6-17-7-5-12)13(24)9-22(2)16-14-15(19-10-18-14)20-11-21-16/h10-12,17H,3-9H2,1-2H3,(H,18,19,20,21)
InChIKeyOYOWRFCQIXPTEB-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.78
Rot. Bonds6

About 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide

2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide (PubChem CID 119826160) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide
PubChem CID119826160
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide
SMILESCCCN(C(=O)CN(C)c1ncnc2nc[nH]c12)C1CCNCC1
InChIInChI=1S/C16H25N7O/c1-3-8-23(12-4-6-17-7-5-12)13(24)9-22(2)16-14-15(19-10-18-14)20-11-21-16/h10-12,17H,3-9H2,1-2H3,(H,18,19,20,21)
InChIKeyOYOWRFCQIXPTEB-UHFFFAOYSA-N
XLogP0.78
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[propyl(7H-purin-6-yl)amino]acetate
CID 62004761
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 119413297
1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 47911056
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone;dihydrochloride
CID 119648151
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97314495
N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75466744
N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479909
N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119643710
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 154775389
1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97318615
N-methyl-2-[methyl(7H-purin-6-yl)amino]-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]acetamide
CID 97313750

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide (CID 119826160) is 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide is CCCN(C(=O)CN(C)c1ncnc2nc[nH]c12)C1CCNCC1.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide?
The InChIKey is OYOWRFCQIXPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-3-8-23(12-4-6-17-7-5-12)13(24)9-22(2)16-14-15(19-10-18-14)20-11-21-16/h10-12,17H,3-9H2,1-2H3,(H,18,19,20,21).
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide?
2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide has a molecular weight of 331.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide is sourced from PubChem (CID 119826160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).