[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

C23H35N5O2 — CID 110248963

IUPAC[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCc1nc(C2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C23H35N5O2/c1-17-19(23(30)27-11-5-3-6-12-27)16-24-21(25-17)20-8-4-7-13-28(20)22(29)18-9-14-26(2)15-10-18/h16,18,20H,3-15H2,1-2H3
InChIKeyRSIXLUONXHXPKO-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.81
Rot. Bonds3

About [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 110248963) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID110248963
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Name[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCc1nc(C2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C23H35N5O2/c1-17-19(23(30)27-11-5-3-6-12-27)16-24-21(25-17)20-8-4-7-13-28(20)22(29)18-9-14-26(2)15-10-18/h16,18,20H,3-15H2,1-2H3
InChIKeyRSIXLUONXHXPKO-UHFFFAOYSA-N
XLogP2.81
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone with MolForge

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Related Compounds

2-methoxy-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110247862
2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084529
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110247872
[2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 92639965
2-(4-fluorophenoxy)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110247587
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92639956
[4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247915
(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636277
2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95830196
1-[(2S)-2-[4-methyl-5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]-2-(2-propan-2-ylphenoxy)ethanone
CID 92637353
3-(4-chlorophenoxy)-1-[(2R)-2-[4-methyl-5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92637367

Frequently Asked Questions

What is the IUPAC name of [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 110248963) is [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is Cc1nc(C2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is RSIXLUONXHXPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-17-19(23(30)27-11-5-3-6-12-27)16-24-21(25-17)20-8-4-7-13-28(20)22(29)18-9-14-26(2)15-10-18/h16,18,20H,3-15H2,1-2H3.
What are the key properties of [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 413.57 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 110248963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).