1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide

C18H27F2N5O2 — CID 154757986

IUPAC1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide
SMILESCCn1nccc1N1CCCC(NC(=O)C2CCN(CC(F)F)CC2)C1=O
InChIInChI=1S/C18H27F2N5O2/c1-2-25-16(5-8-21-25)24-9-3-4-14(18(24)27)22-17(26)13-6-10-23(11-7-13)12-15(19)20/h5,8,13-15H,2-4,6-7,9-12H2,1H3,(H,22,26)
InChIKeyOCBGIASBYWXWFL-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.49
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide

1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide (PubChem CID 154757986) has the molecular formula C18H27F2N5O2 and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide
PubChem CID154757986
Molecular FormulaC18H27F2N5O2
Molecular Weight383.44 g/mol
Exact Mass383.21
IUPAC Name1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide
SMILESCCn1nccc1N1CCCC(NC(=O)C2CCN(CC(F)F)CC2)C1=O
InChIInChI=1S/C18H27F2N5O2/c1-2-25-16(5-8-21-25)24-9-3-4-14(18(24)27)22-17(26)13-6-10-23(11-7-13)12-15(19)20/h5,8,13-15H,2-4,6-7,9-12H2,1H3,(H,22,26)
InChIKeyOCBGIASBYWXWFL-UHFFFAOYSA-N
XLogP1.49
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide (CID 154757986) is 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide is CCn1nccc1N1CCCC(NC(=O)C2CCN(CC(F)F)CC2)C1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide?
The InChIKey is OCBGIASBYWXWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N5O2/c1-2-25-16(5-8-21-25)24-9-3-4-14(18(24)27)22-17(26)13-6-10-23(11-7-13)12-15(19)20/h5,8,13-15H,2-4,6-7,9-12H2,1H3,(H,22,26).
What are the key properties of 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide?
1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 154757986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).