N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

C14H25F2N3O2 — CID 107479359

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(C1CCCN1C1CCNCC1)N(CCO)CC(F)F
InChIInChI=1S/C14H25F2N3O2/c15-13(16)10-18(8-9-20)14(21)12-2-1-7-19(12)11-3-5-17-6-4-11/h11-13,17,20H,1-10H2
InChIKeyNGXQSOHRCZKBGI-UHFFFAOYSA-N
MW305.37 g/mol
LogP0.29
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 107479359) has the molecular formula C14H25F2N3O2 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID107479359
Molecular FormulaC14H25F2N3O2
Molecular Weight305.37 g/mol
Exact Mass305.19
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(C1CCCN1C1CCNCC1)N(CCO)CC(F)F
InChIInChI=1S/C14H25F2N3O2/c15-13(16)10-18(8-9-20)14(21)12-2-1-7-19(12)11-3-5-17-6-4-11/h11-13,17,20H,1-10H2
InChIKeyNGXQSOHRCZKBGI-UHFFFAOYSA-N
XLogP0.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 107479357
N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61020918
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61019301
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107479360
N-methoxy-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61254068
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 107479497
3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
CID 116559668
(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825159
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 126810670
4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one
CID 114477895
N-(2,2-difluoro-3-hydroxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106176774

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 107479359) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is O=C(C1CCCN1C1CCNCC1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is NGXQSOHRCZKBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O2/c15-13(16)10-18(8-9-20)14(21)12-2-1-7-19(12)11-3-5-17-6-4-11/h11-13,17,20H,1-10H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 305.37 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107479359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).