N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide

C18H27N7O — CID 133293462

IUPACN-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(c3ncnc4nc[nH]c34)CC2)C1
InChIInChI=1S/C18H27N7O/c1-13-3-2-4-14(9-13)23-15(26)10-24-5-7-25(8-6-24)18-16-17(20-11-19-16)21-12-22-18/h11-14H,2-10H2,1H3,(H,23,26)(H,19,20,21,22)
InChIKeyBYZNSTBLUQCNMV-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.17
Rot. Bonds4

About N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide

N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide (PubChem CID 133293462) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
PubChem CID133293462
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(c3ncnc4nc[nH]c34)CC2)C1
InChIInChI=1S/C18H27N7O/c1-13-3-2-4-14(9-13)23-15(26)10-24-5-7-25(8-6-24)18-16-17(20-11-19-16)21-12-22-18/h11-14H,2-10H2,1H3,(H,23,26)(H,19,20,21,22)
InChIKeyBYZNSTBLUQCNMV-UHFFFAOYSA-N
XLogP1.17
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133293470
3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide
CID 71933356
N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133417199
methyl 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoate
CID 78982809
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
(E)-4,4-dimethyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pent-2-enamide
CID 75533505
2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 133293489
2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 100896929
N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 136552953

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide (CID 133293462) is N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide is CC1CCCC(NC(=O)CN2CCN(c3ncnc4nc[nH]c34)CC2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide?
The InChIKey is BYZNSTBLUQCNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-13-3-2-4-14(9-13)23-15(26)10-24-5-7-25(8-6-24)18-16-17(20-11-19-16)21-12-22-18/h11-14H,2-10H2,1H3,(H,23,26)(H,19,20,21,22).
What are the key properties of N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide?
N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide has a molecular weight of 357.46 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133293462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).