N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide

C12H22FN3O — CID 123349275

IUPACN-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCF)N1CCCC1C1CCNCC1
InChIInChI=1S/C12H22FN3O/c13-5-8-15-12(17)16-9-1-2-11(16)10-3-6-14-7-4-10/h10-11,14H,1-9H2,(H,15,17)
InChIKeyQCVXFCGSGRCZMS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.13
Rot. Bonds3

About N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide

N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide (PubChem CID 123349275) has the molecular formula C12H22FN3O and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide
PubChem CID123349275
Molecular FormulaC12H22FN3O
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC NameN-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCF)N1CCCC1C1CCNCC1
InChIInChI=1S/C12H22FN3O/c13-5-8-15-12(17)16-9-1-2-11(16)10-3-6-14-7-4-10/h10-11,14H,1-9H2,(H,15,17)
InChIKeyQCVXFCGSGRCZMS-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-3-(1-methyl-4-piperidyl)-1-pyrrolidinecarboxamide
CID 91921271
1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
(5R)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234965
N-Methyl-4-{1-[(propan-2-YL)carbamoyl]pyrrolidin-3-YL}piperidine-1-carboxamide
CID 91921393
N-(tert-butyl)-4-tetrahydro-1H-pyrrol-3-yltetrahydro-1(2H)-pyridinecarboxamide
CID 110197846
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
2-cyclobutyl-N-(1-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 72023915
2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 84584162
N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72703084
2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116012910
(2S,4S)-4-fluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 118295225
(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 118303120

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide (CID 123349275) is N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide is O=C(NCCF)N1CCCC1C1CCNCC1.
What is the InChIKey of N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is QCVXFCGSGRCZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3O/c13-5-8-15-12(17)16-9-1-2-11(16)10-3-6-14-7-4-10/h10-11,14H,1-9H2,(H,15,17).
What are the key properties of N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide?
N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 123349275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).