4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide

C10H17F2N3O — CID 70952129

IUPAC4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCC(F)(F)C2)CCNCC1
InChIInChI=1S/C10H17F2N3O/c11-10(12)3-6-15(7-10)9(8(13)16)1-4-14-5-2-9/h14H,1-7H2,(H2,13,16)
InChIKeyRRDNBAFIVGYJKD-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.07
Rot. Bonds2

About 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide

4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide (PubChem CID 70952129) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide
PubChem CID70952129
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCC(F)(F)C2)CCNCC1
InChIInChI=1S/C10H17F2N3O/c11-10(12)3-6-15(7-10)9(8(13)16)1-4-14-5-2-9/h14H,1-7H2,(H2,13,16)
InChIKeyRRDNBAFIVGYJKD-UHFFFAOYSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Ethylamino)piperidine-4-carboxamide
CID 96573
4-Dimethylamino-piperidine-4-carboxylic acid amide
CID 417355
4-(Propylamino)piperidine-4-carboxamide
CID 3024604
8-(3,3,3-Trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 17968196
4-(3,3-Difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide
CID 58319318
1-Methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
CID 58319335
1-Methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
CID 58367579
4-(3,3,3-Trifluoropropylamino)piperidine-4-carboxamide
CID 66697754
4,4-Difluoro-1,4'-bipiperidinyl-4'-carboxamide
CID 67187947
(3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 67294000
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 67294115
3-(4,4-Difluoro-piperidin-1-yl)-pyrrolidin-2-one
CID 67353972

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide (CID 70952129) is 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide is NC(=O)C1(N2CCC(F)(F)C2)CCNCC1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide?
The InChIKey is RRDNBAFIVGYJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c11-10(12)3-6-15(7-10)9(8(13)16)1-4-14-5-2-9/h14H,1-7H2,(H2,13,16).
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide?
4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide has a molecular weight of 233.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 70952129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).