N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

C17H27N5O2 — CID 136907837

IUPACN-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCC1=CC(=O)NC(=N1)N2CCN(CC2)CC(=O)NC3CCCCC3
InChIInChI=1S/C17H27N5O2/c1-13-11-15(23)20-17(18-13)22-9-7-21(8-10-22)12-16(24)19-14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3,(H,19,24)(H,18,20,23)
InChIKeyBCNRCOHYSASHCV-UHFFFAOYSA-N
MW333.40 g/mol
LogP0.60
Rot. Bonds4

About N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 136907837) has the molecular formula C17H27N5O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID136907837
Molecular FormulaC17H27N5O2
Molecular Weight333.40 g/mol
Exact Mass333.22
IUPAC NameN-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCC1=CC(=O)NC(=N1)N2CCN(CC2)CC(=O)NC3CCCCC3
InChIInChI=1S/C17H27N5O2/c1-13-11-15(23)20-17(18-13)22-9-7-21(8-10-22)12-16(24)19-14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3,(H,19,24)(H,18,20,23)
InChIKeyBCNRCOHYSASHCV-UHFFFAOYSA-N
XLogP0.60
TPSA77.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity543

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-ylamino)-1-piperidin-1-yl-ethanone
CID 136048721
2-(azepan-1-yl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide
CID 136085481
N-cyclohexyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137644281
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
3-(3-cyclohexylureido)-2-methyl-1,4a-diaza-4H-naphthalen-4-one
CID 44010053
N-cyclopentyl-2-(4-methyl-2-morpholino-6-oxopyrimidin-1(6H)-yl)acetamide
CID 49667359
N-(4,4-difluoropiperidin-3-yl)-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137999936
N-cyclohexyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534909
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-[4-methyl-6-oxo-2-(piperidin-1-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 53201744
N-Cyclohexyl-N-methyl-2-[4-methyl-2-(morpholin-4-YL)-6-oxo-1,6-dihydropyrimidin-1-YL]acetamide
CID 53201811
N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
CID 135674466
4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135674588

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (CID 136907837) is N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is CC1=CC(=O)NC(=N1)N2CCN(CC2)CC(=O)NC3CCCCC3.
What is the InChIKey of N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is BCNRCOHYSASHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-11-15(23)20-17(18-13)22-9-7-21(8-10-22)12-16(24)19-14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3,(H,19,24)(H,18,20,23).
What are the key properties of N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 333.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 136907837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).