[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C23H29FN4O — CID 109160477

IUPAC[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(NC2CCCCCC2)nc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H29FN4O/c24-20-9-5-6-10-21(20)27-13-15-28(16-14-27)23(29)18-11-12-22(25-17-18)26-19-7-3-1-2-4-8-19/h5-6,9-12,17,19H,1-4,7-8,13-16H2,(H,25,26)
InChIKeyLCMQGTFWONQVGT-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.32
Rot. Bonds4

About [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109160477) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109160477
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(NC2CCCCCC2)nc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H29FN4O/c24-20-9-5-6-10-21(20)27-13-15-28(16-14-27)23(29)18-11-12-22(25-17-18)26-19-7-3-1-2-4-8-19/h5-6,9-12,17,19H,1-4,7-8,13-16H2,(H,25,26)
InChIKeyLCMQGTFWONQVGT-UHFFFAOYSA-N
XLogP4.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875
[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109166108
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone
CID 100729895
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582

Frequently Asked Questions

What is the IUPAC name of [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 109160477) is [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(NC2CCCCCC2)nc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is LCMQGTFWONQVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c24-20-9-5-6-10-21(20)27-13-15-28(16-14-27)23(29)18-11-12-22(25-17-18)26-19-7-3-1-2-4-8-19/h5-6,9-12,17,19H,1-4,7-8,13-16H2,(H,25,26).
What are the key properties of [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 396.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109160477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).