[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone

C14H26FN3O — CID 146478729

IUPAC[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCC(C)N1[C@H](C)CN(C(=O)N2CCC(F)C2)C[C@@H]1C
InChIInChI=1S/C14H26FN3O/c1-10(2)18-11(3)7-17(8-12(18)4)14(19)16-6-5-13(15)9-16/h10-13H,5-9H2,1-4H3/t11-,12+,13?
InChIKeyVQVZERKSGFSRIH-FUNVUKJBSA-N
MW271.38 g/mol
LogP1.95
Rot. Bonds1

About [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone

[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone (PubChem CID 146478729) has the molecular formula C14H26FN3O and a molecular weight of 271.38 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone
PubChem CID146478729
Molecular FormulaC14H26FN3O
Molecular Weight271.38 g/mol
Exact Mass271.21
IUPAC Name[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCC(C)N1[C@H](C)CN(C(=O)N2CCC(F)C2)C[C@@H]1C
InChIInChI=1S/C14H26FN3O/c1-10(2)18-11(3)7-17(8-12(18)4)14(19)16-6-5-13(15)9-16/h10-13H,5-9H2,1-4H3/t11-,12+,13?
InChIKeyVQVZERKSGFSRIH-FUNVUKJBSA-N
XLogP1.95
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone with MolForge

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Related Compounds

3-(dimethylamino)-N,N-dimethylpyrrolidine-1-carboxamide
CID 110470361
N,N-dimethyl-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
CID 49769257
N1,N1,N4-trimethyl-N4-(2-pyrrolidin-1-ylethyl)piperazine-1,4-dicarboxamide
CID 49769258
N,N-diethyl-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
CID 49769270
1-Butan-2-yl-3-methylimidazolidin-2-one
CID 101464581
(7S,8aS)-7-fluoro-N-methyl-N-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 132391422
1,3-diethyl-1-propan-2-yl-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 164633063
2,2,2-trifluoro-1-[(3R)-4-methyl-3-pyrrolidin-1-ylpiperazin-1-yl]ethanone
CID 57315204
4-(2-Fluoroethyl)-1,3-dimethylimidazolidin-2-one
CID 67255469
(4-Methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 124199993
(3-Fluoropyrrolidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124199999
(4-Propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126752722

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone (CID 146478729) is [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone is CC(C)N1[C@H](C)CN(C(=O)N2CCC(F)C2)C[C@@H]1C.
What is the InChIKey of [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The InChIKey is VQVZERKSGFSRIH-FUNVUKJBSA-N. The full InChI is InChI=1S/C14H26FN3O/c1-10(2)18-11(3)7-17(8-12(18)4)14(19)16-6-5-13(15)9-16/h10-13H,5-9H2,1-4H3/t11-,12+,13?.
What are the key properties of [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone?
[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone has a molecular weight of 271.38 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 146478729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).