(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C22H29N5O — CID 48931330

IUPAC(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1cc(N2CCC(C(=O)N3CCCC(C)C3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H29N5O/c1-16-4-3-11-27(15-16)22(28)19-7-12-26(13-8-19)20-14-17(2)24-21(25-20)18-5-9-23-10-6-18/h5-6,9-10,14,16,19H,3-4,7-8,11-13,15H2,1-2H3
InChIKeyVOYHELQGNMSBPB-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.32
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 48931330) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID48931330
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1cc(N2CCC(C(=O)N3CCCC(C)C3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H29N5O/c1-16-4-3-11-27(15-16)22(28)19-7-12-26(13-8-19)20-14-17(2)24-21(25-20)18-5-9-23-10-6-18/h5-6,9-10,14,16,19H,3-4,7-8,11-13,15H2,1-2H3
InChIKeyVOYHELQGNMSBPB-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 133283095
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 48931738
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 90520093
(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 52511508
3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052385
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine
CID 98772391
(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone
CID 134796273
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 50960350

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 48931330) is (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is Cc1cc(N2CCC(C(=O)N3CCCC(C)C3)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is VOYHELQGNMSBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16-4-3-11-27(15-16)22(28)19-7-12-26(13-8-19)20-14-17(2)24-21(25-20)18-5-9-23-10-6-18/h5-6,9-10,14,16,19H,3-4,7-8,11-13,15H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 379.51 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 48931330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).