[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone

C22H25FN4O — CID 126889953

IUPAC[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCC(N(c2ccncn2)C2CC2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN4O/c23-17-3-1-16(2-4-17)22(10-11-22)21(28)26-13-8-19(9-14-26)27(18-5-6-18)20-7-12-24-15-25-20/h1-4,7,12,15,18-19H,5-6,8-11,13-14H2
InChIKeyPLHVNESUYIPGNU-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.31
Rot. Bonds5

About [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone

[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 126889953) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID126889953
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCC(N(c2ccncn2)C2CC2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN4O/c23-17-3-1-16(2-4-17)22(10-11-22)21(28)26-13-8-19(9-14-26)27(18-5-6-18)20-7-12-24-15-25-20/h1-4,7,12,15,18-19H,5-6,8-11,13-14H2
InChIKeyPLHVNESUYIPGNU-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72939906
N-cyclopentyl-4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 126889961
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 134062059
[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677994
4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126889980
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
[1-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500934
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone
CID 171328772
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609
1-[1-(4-fluorophenyl)cyclobutanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810106

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone (CID 126889953) is [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone is O=C(N1CCC(N(c2ccncn2)C2CC2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is PLHVNESUYIPGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c23-17-3-1-16(2-4-17)22(10-11-22)21(28)26-13-8-19(9-14-26)27(18-5-6-18)20-7-12-24-15-25-20/h1-4,7,12,15,18-19H,5-6,8-11,13-14H2.
What are the key properties of [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 380.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 126889953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).