2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide

C20H23N5O — CID 122299817

IUPAC2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
SMILESCC1CCN(c2ncc(NC(=O)Cn3ccc4ccccc43)cn2)CC1
InChIInChI=1S/C20H23N5O/c1-15-6-9-24(10-7-15)20-21-12-17(13-22-20)23-19(26)14-25-11-8-16-4-2-3-5-18(16)25/h2-5,8,11-13,15H,6-7,9-10,14H2,1H3,(H,23,26)
InChIKeyPNJCABBHDDEOEH-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.31
Rot. Bonds4

About 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide

2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122299817) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122299817
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
SMILESCC1CCN(c2ncc(NC(=O)Cn3ccc4ccccc43)cn2)CC1
InChIInChI=1S/C20H23N5O/c1-15-6-9-24(10-7-15)20-21-12-17(13-22-20)23-19(26)14-25-11-8-16-4-2-3-5-18(16)25/h2-5,8,11-13,15H,6-7,9-10,14H2,1H3,(H,23,26)
InChIKeyPNJCABBHDDEOEH-UHFFFAOYSA-N
XLogP3.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
CID 122299697
N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
CID 122299598
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide
CID 122299799
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-2-carboxamide
CID 122299715
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
CID 97427649
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-phenyloxane-4-carboxamide
CID 122299702
2-indol-1-yl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99697341
1-[2-(4-methylpiperidin-1-yl)ethyl]indole
CID 22989568
1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea
CID 122299621
3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299943
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide (CID 122299817) is 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide is CC1CCN(c2ncc(NC(=O)Cn3ccc4ccccc43)cn2)CC1.
What is the InChIKey of 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is PNJCABBHDDEOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-6-9-24(10-7-15)20-21-12-17(13-22-20)23-19(26)14-25-11-8-16-4-2-3-5-18(16)25/h2-5,8,11-13,15H,6-7,9-10,14H2,1H3,(H,23,26).
What are the key properties of 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide?
2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122299817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).