1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone

C19H23N5O — CID 145041709

IUPAC1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)[nH]c1ncnc(NCCC3CCNCC3)c12
InChIInChI=1S/C19H23N5O/c1-12(25)14-2-3-15-16(10-14)24-19-17(15)18(22-11-23-19)21-9-6-13-4-7-20-8-5-13/h2-3,10-11,13,20H,4-9H2,1H3,(H2,21,22,23,24)
InChIKeyRDABFNBTJCPGOR-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.12
Rot. Bonds5

About 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone

1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone (PubChem CID 145041709) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone
PubChem CID145041709
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)[nH]c1ncnc(NCCC3CCNCC3)c12
InChIInChI=1S/C19H23N5O/c1-12(25)14-2-3-15-16(10-14)24-19-17(15)18(22-11-23-19)21-9-6-13-4-7-20-8-5-13/h2-3,10-11,13,20H,4-9H2,1H3,(H2,21,22,23,24)
InChIKeyRDABFNBTJCPGOR-UHFFFAOYSA-N
XLogP3.12
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone with MolForge

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Related Compounds

1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone
CID 157142610
methyl 4-[3-(dimethylamino)propylamino]-9H-pyrimido[4,5-b]indole-7-carboxylate
CID 71714938
methyl 4-[2-(1H-indol-3-yl)ethylamino]-9H-pyrimido[4,5-b]indole-7-carboxylate
CID 156516653
8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine
CID 115054301
1-[4-[2-(hydroxymethyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone
CID 118983030
methyl 2-benzyl-4-(pyrrolidin-3-ylmethylamino)-9H-pyrimido[4,5-b]indole-7-carboxylate
CID 156516650
4-[2-(dimethylamino)ethylamino]-9H-pyrimido[4,5-b]indole-7-carbonitrile
CID 59447948
piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
CID 20716331
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea
CID 66552583
3-methyl-4-(piperidin-4-ylmethylamino)benzoic acid
CID 79707293
N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone?
The IUPAC name of 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone (CID 145041709) is 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone.
What is the SMILES notation for 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone?
The canonical SMILES for 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone is CC(=O)c1ccc2c(c1)[nH]c1ncnc(NCCC3CCNCC3)c12.
What is the InChIKey of 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone?
The InChIKey is RDABFNBTJCPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12(25)14-2-3-15-16(10-14)24-19-17(15)18(22-11-23-19)21-9-6-13-4-7-20-8-5-13/h2-3,10-11,13,20H,4-9H2,1H3,(H2,21,22,23,24).
What are the key properties of 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone?
1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone has a molecular weight of 337.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-piperidin-4-ylethylamino)-9H-pyrimido[4,5-b]indol-7-yl]ethanone is sourced from PubChem (CID 145041709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).