[2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine

C22H31FN8O3 — CID 178147264

IUPAC[2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine
SMILESC1CCNCC1.CN(C(=O)Nc1ccccn1)C1CN(c2nccc(NC(=O)O)n2)CCC1F
InChIInChI=1S/C17H20FN7O3.C5H11N/c1-24(16(26)22-13-4-2-3-7-19-13)12-10-25(9-6-11(12)18)15-20-8-5-14(21-15)23-17(27)28;1-2-4-6-5-3-1/h2-5,7-8,11-12H,6,9-10H2,1H3,(H,27,28)(H,19,22,26)(H,20,21,23);6H,1-5H2
InChIKeyZPWVZFCGJDNDGL-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.80
Rot. Bonds4

About [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine

[2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine (PubChem CID 178147264) has the molecular formula C22H31FN8O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine.

Molecular Properties

Compound Name[2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine
PubChem CID178147264
Molecular FormulaC22H31FN8O3
Molecular Weight474.54 g/mol
Exact Mass474.25
IUPAC Name[2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine
SMILESC1CCNCC1.CN(C(=O)Nc1ccccn1)C1CN(c2nccc(NC(=O)O)n2)CCC1F
InChIInChI=1S/C17H20FN7O3.C5H11N/c1-24(16(26)22-13-4-2-3-7-19-13)12-10-25(9-6-11(12)18)15-20-8-5-14(21-15)23-17(27)28;1-2-4-6-5-3-1/h2-5,7-8,11-12H,6,9-10H2,1H3,(H,27,28)(H,19,22,26)(H,20,21,23);6H,1-5H2
InChIKeyZPWVZFCGJDNDGL-UHFFFAOYSA-N
XLogP2.80
TPSA135.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-fluoro-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid
CID 178147443
(1-methylpiperidin-4-yl) N-[2-[(3S,4R)-4-fluoro-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147358
[(3S,4S)-1,3-dimethylpiperidin-4-yl] N-[2-[(3S,4R)-4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147305
[(3R,4R)-4-fluoro-1-methylpiperidin-3-yl] N-[2-[(3S,4R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147465
oxan-4-yl N-[2-[(3S,4R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147102
1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium
CID 178147049
[(1R,4S,6R)-2-methyl-2-azabicyclo[2.2.1]heptan-6-yl] N-[2-[(3S,4R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147322
[2-[4,4-difluoro-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid
CID 178147172
(1S)-2-azabicyclo[2.2.0]hexane;[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]-4-pyridinyl]carbamic acid
CID 178147471
cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147183
[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]pyrimidin-4-yl]carbamic acid;3-methyl-3-azabicyclo[3.1.0]hexane
CID 178147438
1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 91540927

Frequently Asked Questions

What is the IUPAC name of [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine?
The IUPAC name of [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine (CID 178147264) is [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine.
What is the SMILES notation for [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine?
The canonical SMILES for [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine is C1CCNCC1.CN(C(=O)Nc1ccccn1)C1CN(c2nccc(NC(=O)O)n2)CCC1F.
What is the InChIKey of [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine?
The InChIKey is ZPWVZFCGJDNDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7O3.C5H11N/c1-24(16(26)22-13-4-2-3-7-19-13)12-10-25(9-6-11(12)18)15-20-8-5-14(21-15)23-17(27)28;1-2-4-6-5-3-1/h2-5,7-8,11-12H,6,9-10H2,1H3,(H,27,28)(H,19,22,26)(H,20,21,23);6H,1-5H2.
What are the key properties of [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine?
[2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine has a molecular weight of 474.54 g/mol, XLogP of 2.80, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine is sourced from PubChem (CID 178147264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).