N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide

C15H20BrFN4O2 — CID 165432283

IUPACN-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2ncc(Br)cn2)CC1)C1CCOC1
InChIInChI=1S/C15H20BrFN4O2/c16-12-7-18-14(19-8-12)21-4-2-15(17,3-5-21)10-20-13(22)11-1-6-23-9-11/h7-8,11H,1-6,9-10H2,(H,20,22)
InChIKeyKUIXKDLWKVBAQZ-UHFFFAOYSA-N
MW387.25 g/mol
LogP1.70
Rot. Bonds4

About N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 165432283) has the molecular formula C15H20BrFN4O2 and a molecular weight of 387.25 g/mol. Its IUPAC name is N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID165432283
Molecular FormulaC15H20BrFN4O2
Molecular Weight387.25 g/mol
Exact Mass386.08
IUPAC NameN-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2ncc(Br)cn2)CC1)C1CCOC1
InChIInChI=1S/C15H20BrFN4O2/c16-12-7-18-14(19-8-12)21-4-2-15(17,3-5-21)10-20-13(22)11-1-6-23-9-11/h7-8,11H,1-6,9-10H2,(H,20,22)
InChIKeyKUIXKDLWKVBAQZ-UHFFFAOYSA-N
XLogP1.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165432188
N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166601069
N-[[4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600643
N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600641
N-[[1-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165433346
N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600864
N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600992
N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166601390
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
CID 165431964
oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 131641140
N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)oxolane-3-carboxamide
CID 155915789

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide (CID 165432283) is N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide is O=C(NCC1(F)CCN(c2ncc(Br)cn2)CC1)C1CCOC1.
What is the InChIKey of N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is KUIXKDLWKVBAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN4O2/c16-12-7-18-14(19-8-12)21-4-2-15(17,3-5-21)10-20-13(22)11-1-6-23-9-11/h7-8,11H,1-6,9-10H2,(H,20,22).
What are the key properties of N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 387.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 165432283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).