N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

C22H36N6O — CID 133293470

IUPACN-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)C1
InChIInChI=1S/C22H36N6O/c1-18-6-5-7-19(14-18)25-22(29)16-26-10-12-28(13-11-26)21-15-20(23-17-24-21)27-8-3-2-4-9-27/h15,17-19H,2-14,16H2,1H3,(H,25,29)
InChIKeyMDRFFSBRWFCQRG-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.28
Rot. Bonds5

About N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 133293470) has the molecular formula C22H36N6O and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID133293470
Molecular FormulaC22H36N6O
Molecular Weight400.57 g/mol
Exact Mass400.30
IUPAC NameN-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)C1
InChIInChI=1S/C22H36N6O/c1-18-6-5-7-19(14-18)25-22(29)16-26-10-12-28(13-11-26)21-15-20(23-17-24-21)27-8-3-2-4-9-27/h15,17-19H,2-14,16H2,1H3,(H,25,29)
InChIKeyMDRFFSBRWFCQRG-UHFFFAOYSA-N
XLogP2.28
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133293462
methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 133333932
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
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
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 78871439
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 95172391
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172388
N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide
CID 124842311
N-methyl-4-[4-[2-[(3-methylcyclohexyl)amino]-2-oxoethyl]piperazin-1-yl]-3-nitrobenzamide
CID 133293485
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (CID 133293470) is N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is CC1CCCC(NC(=O)CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is MDRFFSBRWFCQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O/c1-18-6-5-7-19(14-18)25-22(29)16-26-10-12-28(13-11-26)21-15-20(23-17-24-21)27-8-3-2-4-9-27/h15,17-19H,2-14,16H2,1H3,(H,25,29).
What are the key properties of N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133293470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).