CID 140622429

C17H24FN2O — CID 140622429

IUPAC—
SMILESC[C](C)c1cc(F)cc(CNC2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C17H24FN2O/c1-12(2)15-8-14(9-16(18)10-15)11-19-17-4-6-20(7-5-17)13(3)21/h8-10,17,19H,4-7,11H2,1-3H3
InChIKeyWNCFCRFALRSTJM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.89
Rot. Bonds4

About CID 140622429

CID 140622429 (PubChem CID 140622429) has the molecular formula C17H24FN2O and a molecular weight of 291.39 g/mol.

Molecular Properties

Compound NameCID 140622429
PubChem CID140622429
Molecular FormulaC17H24FN2O
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name—
SMILESC[C](C)c1cc(F)cc(CNC2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C17H24FN2O/c1-12(2)15-8-14(9-16(18)10-15)11-19-17-4-6-20(7-5-17)13(3)21/h8-10,17,19H,4-7,11H2,1-3H3
InChIKeyWNCFCRFALRSTJM-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 140622478
CID 140622478
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
1-[4-[(3-chloro-5-fluorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 114452598
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
CID 60979868
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 103776736
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201814
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60818593
1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone
CID 103605566

Frequently Asked Questions

What is the IUPAC name of CID 140622429?
The IUPAC name of CID 140622429 (CID 140622429) is not available.
What is the SMILES notation for CID 140622429?
The canonical SMILES for CID 140622429 is C[C](C)c1cc(F)cc(CNC2CCN(C(C)=O)CC2)c1.
What is the InChIKey of CID 140622429?
The InChIKey is WNCFCRFALRSTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN2O/c1-12(2)15-8-14(9-16(18)10-15)11-19-17-4-6-20(7-5-17)13(3)21/h8-10,17,19H,4-7,11H2,1-3H3.
What are the key properties of CID 140622429?
CID 140622429 has a molecular weight of 291.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140622429 is sourced from PubChem (CID 140622429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).