N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide

C19H27F2N3O2 — CID 146329998

IUPACN-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)F)n2)CC1)C1CCOCC1
InChIInChI=1S/C19H27F2N3O2/c20-18(21)17-3-1-2-16(23-17)14-4-9-24(10-5-14)11-8-22-19(25)15-6-12-26-13-7-15/h1-3,14-15,18H,4-13H2,(H,22,25)
InChIKeyBRSILCSYDNFMAA-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.74
Rot. Bonds6

About N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide

N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 146329998) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID146329998
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC NameN-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)F)n2)CC1)C1CCOCC1
InChIInChI=1S/C19H27F2N3O2/c20-18(21)17-3-1-2-16(23-17)14-4-9-24(10-5-14)11-8-22-19(25)15-6-12-26-13-7-15/h1-3,14-15,18H,4-13H2,(H,22,25)
InChIKeyBRSILCSYDNFMAA-UHFFFAOYSA-N
XLogP2.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide (CID 146329998) is N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide is O=C(NCCN1CCC(c2cccc(C(F)F)n2)CC1)C1CCOCC1.
What is the InChIKey of N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is BRSILCSYDNFMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c20-18(21)17-3-1-2-16(23-17)14-4-9-24(10-5-14)11-8-22-19(25)15-6-12-26-13-7-15/h1-3,14-15,18H,4-13H2,(H,22,25).
What are the key properties of N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(difluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 146329998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).