(3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone

C10H16F2N2O — CID 67295384

IUPAC(3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-1-5-14(7-10)9(15)8-2-4-13-6-8/h8,13H,1-7H2/t8-/m0/s1
InChIKeyJWCFDVJHTXRNMW-QMMMGPOBSA-N
MW218.25 g/mol
LogP0.85
Rot. Bonds1

About (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone

(3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 67295384) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID67295384
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-1-5-14(7-10)9(15)8-2-4-13-6-8/h8,13H,1-7H2/t8-/m0/s1
InChIKeyJWCFDVJHTXRNMW-QMMMGPOBSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Piperidin-3-yl)(pyrrolidin-1-yl)methanone
CID 2794682
1-(2-(4-Piperidinyl)ethyl)-2-pyrrolidinone
CID 4712456
4-(Pyrrolidine-1-carbonyl)piperidine hydrochloride
CID 17490807
1-[(Piperidin-4-yl)methyl]pyrrolidin-2-one hydrochloride
CID 21241491
3-(Pyrrolidine-1-carbonyl)piperidine hydrochloride
CID 50944469
Piperidin-4-yl(pyrrolidin-1-yl)methanone
CID 1520212
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
4-Methyl-1-(pyrrolidine-3-carbonyl)piperidine hydrochloride
CID 75419424
1-(Piperidin-3-ylmethyl)pyrrolidin-2-one hydrochloride
CID 71778953
N-cyclopentyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45877915
N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54595659
4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 56709504

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone (CID 67295384) is (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone is O=C([C@H]1CCNC1)N1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is JWCFDVJHTXRNMW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)3-1-5-14(7-10)9(15)8-2-4-13-6-8/h8,13H,1-7H2/t8-/m0/s1.
What are the key properties of (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
(3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 218.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 67295384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).