N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C24H33N5O3 — CID 126938203

IUPACN-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCCC2)c1onc2c1CCCC2
InChIInChI=1S/C24H33N5O3/c30-22-15-17-7-1-3-10-20(17)26-29(22)14-13-28-12-6-5-8-18(28)16-25-24(31)23-19-9-2-4-11-21(19)27-32-23/h15,18H,1-14,16H2,(H,25,31)
InChIKeyMYPDMCHECITUNH-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.27
Rot. Bonds6

About N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 126938203) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID126938203
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCCC2)c1onc2c1CCCC2
InChIInChI=1S/C24H33N5O3/c30-22-15-17-7-1-3-10-20(17)26-29(22)14-13-28-12-6-5-8-18(28)16-25-24(31)23-19-9-2-4-11-21(19)27-32-23/h15,18H,1-14,16H2,(H,25,31)
InChIKeyMYPDMCHECITUNH-UHFFFAOYSA-N
XLogP2.27
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide with MolForge

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Related Compounds

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-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide
CID 126938304
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 126938178
N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide
CID 126938010
2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938267
1-methyl-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]triazole-4-carboxamide
CID 126937983
N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 126937972
6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide
CID 137193705
2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938231
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-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938277
N-[[1-[2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]cyclopropanecarboxamide
CID 126938491

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 126938203) is N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is O=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCCC2)c1onc2c1CCCC2.
What is the InChIKey of N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is MYPDMCHECITUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c30-22-15-17-7-1-3-10-20(17)26-29(22)14-13-28-12-6-5-8-18(28)16-25-24(31)23-19-9-2-4-11-21(19)27-32-23/h15,18H,1-14,16H2,(H,25,31).
What are the key properties of N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 126938203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).