N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide

C18H28N4O3 — CID 121161621

IUPACN-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1nccc(OC2CCN(C(=O)NC3CCCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-24-17-19-11-8-16(21-17)25-15-9-12-22(13-10-15)18(23)20-14-6-4-2-3-5-7-14/h8,11,14-15H,2-7,9-10,12-13H2,1H3,(H,20,23)
InChIKeyRCOSDEIRNMLYCU-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.76
Rot. Bonds4

About N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide

N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 121161621) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID121161621
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1nccc(OC2CCN(C(=O)NC3CCCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-24-17-19-11-8-16(21-17)25-15-9-12-22(13-10-15)18(23)20-14-6-4-2-3-5-7-14/h8,11,14-15H,2-7,9-10,12-13H2,1H3,(H,20,23)
InChIKeyRCOSDEIRNMLYCU-UHFFFAOYSA-N
XLogP2.76
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161177
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121161619
N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 139028961
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121161309
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121161503
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 121161621) is N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide is COc1nccc(OC2CCN(C(=O)NC3CCCCCC3)CC2)n1.
What is the InChIKey of N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is RCOSDEIRNMLYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-24-17-19-11-8-16(21-17)25-15-9-12-22(13-10-15)18(23)20-14-6-4-2-3-5-7-14/h8,11,14-15H,2-7,9-10,12-13H2,1H3,(H,20,23).
What are the key properties of N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 121161621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).