2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide

C18H28N4O — CID 71779903

IUPAC2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H28N4O/c23-17(13-15-5-2-1-3-6-15)21-14-16-7-11-22(12-8-16)18-19-9-4-10-20-18/h4,9-10,15-16H,1-3,5-8,11-14H2,(H,21,23)
InChIKeyCEROSJLWYWDMIM-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.78
Rot. Bonds5

About 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide

2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 71779903) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide
PubChem CID71779903
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H28N4O/c23-17(13-15-5-2-1-3-6-15)21-14-16-7-11-22(12-8-16)18-19-9-4-10-20-18/h4,9-10,15-16H,1-3,5-8,11-14H2,(H,21,23)
InChIKeyCEROSJLWYWDMIM-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Buspirone
CID 2477
Adatanserin
CID 130918
Adatanserin Hydrochloride
CID 183784
(1R,2R)-N-(cyanomethyl)-2-[(pyrimidin-2-ylsulfanyl)methyl]cyclohexane-1-carboxamide
CID 10308326
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide;dihydrochloride
CID 9803386
N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
N-pyrimidin-2-yladamantane-1-carboxamide
CID 331249
8-[3-[4-(2-Pyrimidinyl)-1-piperazinyl]propyl]-8-azaspiro[4.5]decane-7,9-dione
CID 4713258
2-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-hexahydro-isoindole-1,3-dione;C4H4O4
CID 15592394
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide;dihydrochloride
CID 18995773
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide;dihydrochloride
CID 18995777

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide (CID 71779903) is 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide is O=C(CC1CCCCC1)NCC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is CEROSJLWYWDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-17(13-15-5-2-1-3-6-15)21-14-16-7-11-22(12-8-16)18-19-9-4-10-20-18/h4,9-10,15-16H,1-3,5-8,11-14H2,(H,21,23).
What are the key properties of 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide?
2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 71779903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).