1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one

C21H29N5O — CID 160922536

IUPAC1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one
SMILESO=C(CCC1CCN(c2ccnc3nccnc23)CC1)CN1CCCCC1
InChIInChI=1S/C21H29N5O/c27-18(16-25-12-2-1-3-13-25)5-4-17-7-14-26(15-8-17)19-6-9-23-21-20(19)22-10-11-24-21/h6,9-11,17H,1-5,7-8,12-16H2
InChIKeySSFFZYJNIAWMTC-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.08
Rot. Bonds6

About 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one

1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one (PubChem CID 160922536) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one.

Molecular Properties

Compound Name1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one
PubChem CID160922536
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one
SMILESO=C(CCC1CCN(c2ccnc3nccnc23)CC1)CN1CCCCC1
InChIInChI=1S/C21H29N5O/c27-18(16-25-12-2-1-3-13-25)5-4-17-7-14-26(15-8-17)19-6-9-23-21-20(19)22-10-11-24-21/h6,9-11,17H,1-5,7-8,12-16H2
InChIKeySSFFZYJNIAWMTC-UHFFFAOYSA-N
XLogP3.08
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one with MolForge

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Related Compounds

2-(diethylamino)-N-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)acetamide
CID 129241250
2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone
CID 146852678
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
CID 62216311
3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
(3S,5R)-1-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-amine
CID 129241267
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
2-(1-quinolin-4-ylpiperidin-4-yl)ethanesulfonic acid
CID 175185586
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
CID 66978033
1-(2-methylpiperidin-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone
CID 42949561
2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid
CID 143009281
5-acetamido-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]benzoic acid
CID 50806957
1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one
CID 146794529

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one?
The IUPAC name of 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one (CID 160922536) is 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one.
What is the SMILES notation for 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one?
The canonical SMILES for 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one is O=C(CCC1CCN(c2ccnc3nccnc23)CC1)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one?
The InChIKey is SSFFZYJNIAWMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c27-18(16-25-12-2-1-3-13-25)5-4-17-7-14-26(15-8-17)19-6-9-23-21-20(19)22-10-11-24-21/h6,9-11,17H,1-5,7-8,12-16H2.
What are the key properties of 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one?
1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one has a molecular weight of 367.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one is sourced from PubChem (CID 160922536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).