1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide

C12H17N7O — CID 103718742

IUPAC1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc(N)nc3nc[nH]c23)C1
InChIInChI=1S/C12H17N7O/c1-14-11(20)7-3-2-4-19(5-7)10-8-9(16-6-15-8)17-12(13)18-10/h6-7H,2-5H2,1H3,(H,14,20)(H3,13,15,16,17,18)
InChIKeyRTMKZAGFIVOLRN-UHFFFAOYSA-N
MW275.32 g/mol
LogP-0.10
Rot. Bonds2

About 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide

1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 103718742) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide
PubChem CID103718742
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc(N)nc3nc[nH]c23)C1
InChIInChI=1S/C12H17N7O/c1-14-11(20)7-3-2-4-19(5-7)10-8-9(16-6-15-8)17-12(13)18-10/h6-7H,2-5H2,1H3,(H,14,20)(H3,13,15,16,17,18)
InChIKeyRTMKZAGFIVOLRN-UHFFFAOYSA-N
XLogP-0.10
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736
6-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-7H-purin-2-amine
CID 72902832
(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40920678
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 103197754
(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40920901
1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103194325
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide (CID 103718742) is 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2nc(N)nc3nc[nH]c23)C1.
What is the InChIKey of 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is RTMKZAGFIVOLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-14-11(20)7-3-2-4-19(5-7)10-8-9(16-6-15-8)17-12(13)18-10/h6-7H,2-5H2,1H3,(H,14,20)(H3,13,15,16,17,18).
What are the key properties of 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide?
1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 275.32 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103718742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).