N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide

C18H28N4O2 — CID 128737509

IUPACN-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCOCC1CCC(NC(=O)N2CCC(c3ccncn3)CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-24-12-14-2-4-16(5-3-14)21-18(23)22-10-7-15(8-11-22)17-6-9-19-13-20-17/h6,9,13-16H,2-5,7-8,10-12H2,1H3,(H,21,23)
InChIKeyZEGAEVCDYOFJNJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.57
Rot. Bonds4

About N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide

N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide (PubChem CID 128737509) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
PubChem CID128737509
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCOCC1CCC(NC(=O)N2CCC(c3ccncn3)CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-24-12-14-2-4-16(5-3-14)21-18(23)22-10-7-15(8-11-22)17-6-9-19-13-20-17/h6,9,13-16H,2-5,7-8,10-12H2,1H3,(H,21,23)
InChIKeyZEGAEVCDYOFJNJ-UHFFFAOYSA-N
XLogP2.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
CID 166262556
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 77080783
N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 128737521
4-[[4-(methoxymethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024551
N-cyclopentyl-4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 126889961
N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide
CID 126887116
methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate
CID 139699368
(5-hydroxy-2-pyridinyl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 154846130
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 138008887
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 106587983
[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 72917725

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide (CID 128737509) is N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide is COCC1CCC(NC(=O)N2CCC(c3ccncn3)CC2)CC1.
What is the InChIKey of N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide?
The InChIKey is ZEGAEVCDYOFJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-24-12-14-2-4-16(5-3-14)21-18(23)22-10-7-15(8-11-22)17-6-9-19-13-20-17/h6,9,13-16H,2-5,7-8,10-12H2,1H3,(H,21,23).
What are the key properties of N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide?
N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 128737509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).