2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H28N6O — CID 126938231

IUPAC2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CCN1CCCCC1CNc1ncccn1)CCCC2
InChIInChI=1S/C20H28N6O/c27-19-14-16-6-1-2-8-18(16)24-26(19)13-12-25-11-4-3-7-17(25)15-23-20-21-9-5-10-22-20/h5,9-10,14,17H,1-4,6-8,11-13,15H2,(H,21,22,23)
InChIKeyZCIWTFLADUDZBT-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.88
Rot. Bonds6

About 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126938231) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126938231
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CCN1CCCCC1CNc1ncccn1)CCCC2
InChIInChI=1S/C20H28N6O/c27-19-14-16-6-1-2-8-18(16)24-26(19)13-12-25-11-4-3-7-17(25)15-23-20-21-9-5-10-22-20/h5,9-10,14,17H,1-4,6-8,11-13,15H2,(H,21,22,23)
InChIKeyZCIWTFLADUDZBT-UHFFFAOYSA-N
XLogP1.88
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[2-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938277
2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938267
2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938291
2-[2-[2-[(5,6,7,8-tetrahydrocinnolin-3-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938134
2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938063
2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938116
2-[2-[2-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938056
2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide
CID 126938304
2-[2-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938273
2-[2-[2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938039
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126938157
2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126938231) is 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CCN1CCCCC1CNc1ncccn1)CCCC2.
What is the InChIKey of 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is ZCIWTFLADUDZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-19-14-16-6-1-2-8-18(16)24-26(19)13-12-25-11-4-3-7-17(25)15-23-20-21-9-5-10-22-20/h5,9-10,14,17H,1-4,6-8,11-13,15H2,(H,21,22,23).
What are the key properties of 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 368.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126938231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).