N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide

C14H21FN4O2 — CID 143541861

IUPACN-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H21FN4O2/c1-3-10(2)18-14(20)19-6-4-12(5-7-19)21-13-16-8-11(15)9-17-13/h8-10,12H,3-7H2,1-2H3,(H,18,20)
InChIKeyDXPWQZHEUKUNDN-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.97
Rot. Bonds4

About N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide

N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide (PubChem CID 143541861) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
PubChem CID143541861
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC NameN-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H21FN4O2/c1-3-10(2)18-14(20)19-6-4-12(5-7-19)21-13-16-8-11(15)9-17-13/h8-10,12H,3-7H2,1-2H3,(H,18,20)
InChIKeyDXPWQZHEUKUNDN-UHFFFAOYSA-N
XLogP1.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide (CID 143541861) is N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide is CCC(C)NC(=O)N1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
The InChIKey is DXPWQZHEUKUNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-3-10(2)18-14(20)19-6-4-12(5-7-19)21-13-16-8-11(15)9-17-13/h8-10,12H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 143541861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).