3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one

C25H31FN4O2 — CID 110247872

IUPAC3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1nc(C2CCCCN2C(=O)CCc2ccc(F)cc2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C25H31FN4O2/c1-18-21(25(32)29-14-4-2-5-15-29)17-27-24(28-18)22-7-3-6-16-30(22)23(31)13-10-19-8-11-20(26)12-9-19/h8-9,11-12,17,22H,2-7,10,13-16H2,1H3
InChIKeyCWFFYHHEVPDIAF-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.24
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 110247872) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID110247872
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1nc(C2CCCCN2C(=O)CCc2ccc(F)cc2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C25H31FN4O2/c1-18-21(25(32)29-14-4-2-5-15-29)17-27-24(28-18)22-7-3-6-16-30(22)23(31)13-10-19-8-11-20(26)12-9-19/h8-9,11-12,17,22H,2-7,10,13-16H2,1H3
InChIKeyCWFFYHHEVPDIAF-UHFFFAOYSA-N
XLogP4.24
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247808
2-[(2S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636783
2-[(2R)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636784
2-(4-fluorophenoxy)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110247587
2-methoxy-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110247862
2-(2,4-difluorophenoxy)-1-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92637446
4-(2-fluorophenoxy)-1-[(2S)-2-[4-methyl-5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 92637374
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92639956
N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247791
(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636277
1-[2-[4-methyl-5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-propoxyphenyl)ethanone
CID 110247577
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805927

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one (CID 110247872) is 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one is Cc1nc(C2CCCCN2C(=O)CCc2ccc(F)cc2)ncc1C(=O)N1CCCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is CWFFYHHEVPDIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-18-21(25(32)29-14-4-2-5-15-29)17-27-24(28-18)22-7-3-6-16-30(22)23(31)13-10-19-8-11-20(26)12-9-19/h8-9,11-12,17,22H,2-7,10,13-16H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 438.55 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110247872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).