[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

C20H33N5O — CID 92613530

IUPAC[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(CCN(C)C)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H33N5O/c1-16-15-18(22-20(21-16)25-10-5-4-6-11-25)19(26)24-13-8-17(9-14-24)7-12-23(2)3/h15,17H,4-14H2,1-3H3
InChIKeyNSJHSRHAHDAMLG-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.58
Rot. Bonds5

About [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 92613530) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
PubChem CID92613530
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(CCN(C)C)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H33N5O/c1-16-15-18(22-20(21-16)25-10-5-4-6-11-25)19(26)24-13-8-17(9-14-24)7-12-23(2)3/h15,17H,4-14H2,1-3H3
InChIKeyNSJHSRHAHDAMLG-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone with MolForge

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Related Compounds

[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone
CID 92625774
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
CID 46979592
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 110149919
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325914
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321600
ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109332006

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (CID 92613530) is [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCC(CCN(C)C)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is NSJHSRHAHDAMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-16-15-18(22-20(21-16)25-10-5-4-6-11-25)19(26)24-13-8-17(9-14-24)7-12-23(2)3/h15,17H,4-14H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 359.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 92613530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).