3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one

C20H23N5O — CID 154800759

IUPAC3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
SMILESCc1nccc(CN2CCCC(NCc3cccc4[nH]ccc34)C2=O)n1
InChIInChI=1S/C20H23N5O/c1-14-21-9-7-16(24-14)13-25-11-3-6-19(20(25)26)23-12-15-4-2-5-18-17(15)8-10-22-18/h2,4-5,7-10,19,22-23H,3,6,11-13H2,1H3
InChIKeyWVZQQMMFNLAMJJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.55
Rot. Bonds5

About 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one

3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one (PubChem CID 154800759) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
PubChem CID154800759
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
SMILESCc1nccc(CN2CCCC(NCc3cccc4[nH]ccc34)C2=O)n1
InChIInChI=1S/C20H23N5O/c1-14-21-9-7-16(24-14)13-25-11-3-6-19(20(25)26)23-12-15-4-2-5-18-17(15)8-10-22-18/h2,4-5,7-10,19,22-23H,3,6,11-13H2,1H3
InChIKeyWVZQQMMFNLAMJJ-UHFFFAOYSA-N
XLogP2.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 95354948
N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124946512
N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 62999891
N-[[6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019695
2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
CID 155986420
4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 129374249
N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine
CID 146147973
(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128976373
2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 100959575
(3S,4S)-N-(1H-indol-4-ylmethyl)-3-methyl-1-propan-2-ylsulfonylpiperidin-4-amine
CID 95780799
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501
1-(1H-indol-4-ylmethyl)-9-(4-methylpyrimidin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one
CID 56968454

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
The IUPAC name of 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one (CID 154800759) is 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one is Cc1nccc(CN2CCCC(NCc3cccc4[nH]ccc34)C2=O)n1.
What is the InChIKey of 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
The InChIKey is WVZQQMMFNLAMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-21-9-7-16(24-14)13-25-11-3-6-19(20(25)26)23-12-15-4-2-5-18-17(15)8-10-22-18/h2,4-5,7-10,19,22-23H,3,6,11-13H2,1H3.
What are the key properties of 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one is sourced from PubChem (CID 154800759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).