N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen

C24H32N4O3 — CID 145040480

IUPACN-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen
SMILESO=C(N[C@@H]1CCN2C(=O)c3ccc(C4CCCNC4)cc3[C@@H]2C1)c1cc(C2CC2)on1.[H][H].[H][H]
InChIInChI=1S/C24H28N4O3.2H2/c29-23(20-12-22(31-27-20)14-3-4-14)26-17-7-9-28-21(11-17)19-10-15(5-6-18(19)24(28)30)16-2-1-8-25-13-16;;/h5-6,10,12,14,16-17,21,25H,1-4,7-9,11,13H2,(H,26,29);2*1H/t16?,17-,21+;;/m1../s1
InChIKeyBAGLTLIBPPYVOO-JJUQZECPSA-N
MW424.55 g/mol
LogP3.60
Rot. Bonds4

About N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen

N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen (PubChem CID 145040480) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen
PubChem CID145040480
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen
SMILESO=C(N[C@@H]1CCN2C(=O)c3ccc(C4CCCNC4)cc3[C@@H]2C1)c1cc(C2CC2)on1.[H][H].[H][H]
InChIInChI=1S/C24H28N4O3.2H2/c29-23(20-12-22(31-27-20)14-3-4-14)26-17-7-9-28-21(11-17)19-10-15(5-6-18(19)24(28)30)16-2-1-8-25-13-16;;/h5-6,10,12,14,16-17,21,25H,1-4,7-9,11,13H2,(H,26,29);2*1H/t16?,17-,21+;;/m1../s1
InChIKeyBAGLTLIBPPYVOO-JJUQZECPSA-N
XLogP3.60
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040372
N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040386
5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040199
5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 130188063
5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 158888627
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300
5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040433
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 118947233
N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040477
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
N-[1-(cyclohexylmethylsulfanyl)-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040500
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992

Frequently Asked Questions

What is the IUPAC name of N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen (CID 145040480) is N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen is O=C(N[C@@H]1CCN2C(=O)c3ccc(C4CCCNC4)cc3[C@@H]2C1)c1cc(C2CC2)on1.[H][H].[H][H].
What is the InChIKey of N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen?
The InChIKey is BAGLTLIBPPYVOO-JJUQZECPSA-N. The full InChI is InChI=1S/C24H28N4O3.2H2/c29-23(20-12-22(31-27-20)14-3-4-14)26-17-7-9-28-21(11-17)19-10-15(5-6-18(19)24(28)30)16-2-1-8-25-13-16;;/h5-6,10,12,14,16-17,21,25H,1-4,7-9,11,13H2,(H,26,29);2*1H/t16?,17-,21+;;/m1../s1.
What are the key properties of N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen?
N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen has a molecular weight of 424.55 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 145040480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).