N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide

C9H16F2N2O2 — CID 103796505

IUPACN-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCNC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7(14)5-13-9(15)6-2-1-3-12-4-6/h6-8,12,14H,1-5H2,(H,13,15)
InChIKeyZDVKXXYIVDTCBD-UHFFFAOYSA-N
MW222.23 g/mol
LogP-0.27
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 103796505) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID103796505
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCNC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7(14)5-13-9(15)6-2-1-3-12-4-6/h6-8,12,14H,1-5H2,(H,13,15)
InChIKeyZDVKXXYIVDTCBD-UHFFFAOYSA-N
XLogP-0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 103796505) is N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide is O=C(NCC(O)C(F)F)C1CCCNC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is ZDVKXXYIVDTCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-8(11)7(14)5-13-9(15)6-2-1-3-12-4-6/h6-8,12,14H,1-5H2,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 222.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 103796505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).