2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C21H30N4O2 — CID 126862948

IUPAC2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC(C)c1ocnc1CN1CCC(Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C21H30N4O2/c1-15(2)21-19(22-14-27-21)13-24-9-7-16(8-10-24)12-25-20(26)11-17-5-3-4-6-18(17)23-25/h11,14-16H,3-10,12-13H2,1-2H3
InChIKeyNTLHUPPKBLQEAA-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.15
Rot. Bonds5

About 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126862948) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126862948
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC(C)c1ocnc1CN1CCC(Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C21H30N4O2/c1-15(2)21-19(22-14-27-21)13-24-9-7-16(8-10-24)12-25-20(26)11-17-5-3-4-6-18(17)23-25/h11,14-16H,3-10,12-13H2,1-2H3
InChIKeyNTLHUPPKBLQEAA-UHFFFAOYSA-N
XLogP3.15
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

CID 171994193
CID 171994193
CID 171999615
CID 171999615
CID 172000018
CID 172000018
CID 172881310
CID 172881310
CID 126862480
CID 126862480
CID 126862481
CID 126862481
CID 126862949
CID 126862949
CID 126862951
CID 126862951
CID 126864084
CID 126864084
CID 126864085
CID 126864085
CID 126864944
CID 126864944
CID 126864945
CID 126864945

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126862948) is 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is CC(C)c1ocnc1CN1CCC(Cn2nc3c(cc2=O)CCCC3)CC1.
What is the InChIKey of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is NTLHUPPKBLQEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15(2)21-19(22-14-27-21)13-24-9-7-16(8-10-24)12-25-20(26)11-17-5-3-4-6-18(17)23-25/h11,14-16H,3-10,12-13H2,1-2H3.
What are the key properties of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 370.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126862948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).