1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole

C20H24N4 — CID 74248694

IUPAC1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole
SMILESCc1cncnc1C1CCN(Cc2cc3ccccc3n2C)CC1
InChIInChI=1S/C20H24N4/c1-15-12-21-14-22-20(15)16-7-9-24(10-8-16)13-18-11-17-5-3-4-6-19(17)23(18)2/h3-6,11-12,14,16H,7-10,13H2,1-2H3
InChIKeyFWZJEAQZDXIOJR-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.66
Rot. Bonds3

About 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole

1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole (PubChem CID 74248694) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole
PubChem CID74248694
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole
SMILESCc1cncnc1C1CCN(Cc2cc3ccccc3n2C)CC1
InChIInChI=1S/C20H24N4/c1-15-12-21-14-22-20(15)16-7-9-24(10-8-16)13-18-11-17-5-3-4-6-19(17)23(18)2/h3-6,11-12,14,16H,7-10,13H2,1-2H3
InChIKeyFWZJEAQZDXIOJR-UHFFFAOYSA-N
XLogP3.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine
CID 73440387
4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930610
4-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidin-4-yl]-5-methylpyrimidine
CID 74236987
4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
CID 142781838
2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930615
3-[4-ethyl-5-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91775051
4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol
CID 74236763
N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide
CID 71695249
1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine
CID 10135726
2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866217
N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole?
The IUPAC name of 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole (CID 74248694) is 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole.
What is the SMILES notation for 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole?
The canonical SMILES for 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole is Cc1cncnc1C1CCN(Cc2cc3ccccc3n2C)CC1.
What is the InChIKey of 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole?
The InChIKey is FWZJEAQZDXIOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-12-21-14-22-20(15)16-7-9-24(10-8-16)13-18-11-17-5-3-4-6-19(17)23(18)2/h3-6,11-12,14,16H,7-10,13H2,1-2H3.
What are the key properties of 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole?
1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole has a molecular weight of 320.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]indole is sourced from PubChem (CID 74248694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).