2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone

C18H28N6O — CID 155665697

IUPAC2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCC(N(C)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C18H28N6O/c1-4-23(5-2)12-16(25)24-10-7-14(8-11-24)22(3)18-15-6-9-19-17(15)20-13-21-18/h6,9,13-14H,4-5,7-8,10-12H2,1-3H3,(H,19,20,21)
InChIKeyJTCVLILTTZFENL-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.73
Rot. Bonds6

About 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone

2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 155665697) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID155665697
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCC(N(C)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C18H28N6O/c1-4-23(5-2)12-16(25)24-10-7-14(8-11-24)22(3)18-15-6-9-19-17(15)20-13-21-18/h6,9,13-14H,4-5,7-8,10-12H2,1-3H3,(H,19,20,21)
InChIKeyJTCVLILTTZFENL-UHFFFAOYSA-N
XLogP1.73
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-[(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-oxopropanenitrile
CID 134537158
N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537152
N-(1-ethylsulfonylpyrrolidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537153
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 57434379
N-methyl-N-(4-propan-2-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68679684
3-[(3R)-3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-oxopropanenitrile
CID 134537185
2,6-difluoro-4-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]benzonitrile
CID 139526846
1-[5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 78137425
1-[(3aS,6aR)-5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyliminopropan-1-one
CID 135299940
2-fluoro-4-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]benzonitrile
CID 139527190
2,5-difluoro-4-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]benzonitrile
CID 139526845

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone (CID 155665697) is 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone is CCN(CC)CC(=O)N1CCC(N(C)c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is JTCVLILTTZFENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-23(5-2)12-16(25)24-10-7-14(8-11-24)22(3)18-15-6-9-19-17(15)20-13-21-18/h6,9,13-14H,4-5,7-8,10-12H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 344.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 155665697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).