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

C10H18F2N2O2 — CID 103822054

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)F)CCCNC1
InChIInChI=1S/C10H18F2N2O2/c1-10(3-2-4-13-6-10)9(16)14-5-7(15)8(11)12/h7-8,13,15H,2-6H2,1H3,(H,14,16)
InChIKeyFZDQQYVPTVLEDD-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.12
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide (PubChem CID 103822054) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
PubChem CID103822054
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)F)CCCNC1
InChIInChI=1S/C10H18F2N2O2/c1-10(3-2-4-13-6-10)9(16)14-5-7(15)8(11)12/h7-8,13,15H,2-6H2,1H3,(H,14,16)
InChIKeyFZDQQYVPTVLEDD-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.12
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)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide (CID 103822054) is N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCC(O)C(F)F)CCCNC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is FZDQQYVPTVLEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-10(3-2-4-13-6-10)9(16)14-5-7(15)8(11)12/h7-8,13,15H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.12, 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)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103822054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).