ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one

C17H26N4O — CID 176933753

IUPACethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one
SMILESCC.CC(C)C(=O)N1CCN(c2nccc3cc[nH]c23)CC1
InChIInChI=1S/C15H20N4O.C2H6/c1-11(2)15(20)19-9-7-18(8-10-19)14-13-12(3-5-16-13)4-6-17-14;1-2/h3-6,11,16H,7-10H2,1-2H3;1-2H3
InChIKeyWHXRREAYSSQRRY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.89
Rot. Bonds2

About ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one

ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one (PubChem CID 176933753) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one
PubChem CID176933753
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Nameethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one
SMILESCC.CC(C)C(=O)N1CCN(c2nccc3cc[nH]c23)CC1
InChIInChI=1S/C15H20N4O.C2H6/c1-11(2)15(20)19-9-7-18(8-10-19)14-13-12(3-5-16-13)4-6-17-14;1-2/h3-6,11,16H,7-10H2,1-2H3;1-2H3
InChIKeyWHXRREAYSSQRRY-UHFFFAOYSA-N
XLogP2.89
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 2781743
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074
4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 176811294
2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-nitropyridine-4-carbonitrile
CID 75380581
3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 86285968
(2S)-2-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-methylbutan-1-one
CID 167772896
1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60637351
1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 126468407
1-[4-(4-aminophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 936774
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 52944982
2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
CID 72938766
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 35757436

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one (CID 176933753) is ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one is CC.CC(C)C(=O)N1CCN(c2nccc3cc[nH]c23)CC1.
What is the InChIKey of ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one?
The InChIKey is WHXRREAYSSQRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.C2H6/c1-11(2)15(20)19-9-7-18(8-10-19)14-13-12(3-5-16-13)4-6-17-14;1-2/h3-6,11,16H,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one?
ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 176933753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).