N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide

C15H22N4O2 — CID 171335318

IUPACN-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide
SMILESCOc1cnc(N2CCCC(NC(=O)C3CCC3)C2)nc1
InChIInChI=1S/C15H22N4O2/c1-21-13-8-16-15(17-9-13)19-7-3-6-12(10-19)18-14(20)11-4-2-5-11/h8-9,11-12H,2-7,10H2,1H3,(H,18,20)
InChIKeyHPTUPFQCBWIARO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.37
Rot. Bonds4

About N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide

N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide (PubChem CID 171335318) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide
PubChem CID171335318
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide
SMILESCOc1cnc(N2CCCC(NC(=O)C3CCC3)C2)nc1
InChIInChI=1S/C15H22N4O2/c1-21-13-8-16-15(17-9-13)19-7-3-6-12(10-19)18-14(20)11-4-2-5-11/h8-9,11-12H,2-7,10H2,1H3,(H,18,20)
InChIKeyHPTUPFQCBWIARO-UHFFFAOYSA-N
XLogP1.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975360
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166605954
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
N-cyclopropyl-1-(5-ethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 166600796
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 134697949
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335296
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163346079
(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 138612601
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide (CID 171335318) is N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide is COc1cnc(N2CCCC(NC(=O)C3CCC3)C2)nc1.
What is the InChIKey of N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide?
The InChIKey is HPTUPFQCBWIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-13-8-16-15(17-9-13)19-7-3-6-12(10-19)18-14(20)11-4-2-5-11/h8-9,11-12H,2-7,10H2,1H3,(H,18,20).
What are the key properties of N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide?
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 171335318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).