1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one

C26H35N5O — CID 167802123

IUPAC1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one
SMILESO=C1CCCCN1C1CCC(Nc2nc3ccccc3nc2N2C[C@H]3CCC[C@H]3C2)CC1
InChIInChI=1S/C26H35N5O/c32-24-10-3-4-15-31(24)21-13-11-20(12-14-21)27-25-26(29-23-9-2-1-8-22(23)28-25)30-16-18-6-5-7-19(18)17-30/h1-2,8-9,18-21H,3-7,10-17H2,(H,27,28)/t18-,19+,20?,21?
InChIKeyQRBXASMFOMXVPS-WHSGIHJSSA-N
MW433.60 g/mol
LogP4.60
Rot. Bonds4

About 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one

1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one (PubChem CID 167802123) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one
PubChem CID167802123
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one
SMILESO=C1CCCCN1C1CCC(Nc2nc3ccccc3nc2N2C[C@H]3CCC[C@H]3C2)CC1
InChIInChI=1S/C26H35N5O/c32-24-10-3-4-15-31(24)21-13-11-20(12-14-21)27-25-26(29-23-9-2-1-8-22(23)28-25)30-16-18-6-5-7-19(18)17-30/h1-2,8-9,18-21H,3-7,10-17H2,(H,27,28)/t18-,19+,20?,21?
InChIKeyQRBXASMFOMXVPS-WHSGIHJSSA-N
XLogP4.60
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one 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

3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine
CID 90039114
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899358
[(2R)-1-[3-(cyclopropylamino)quinoxalin-2-yl]pyrrolidin-2-yl]methanol
CID 97169661
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride
CID 71644805
3-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 118308516
N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine
CID 118308643
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride
CID 118308571
2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 127485716
N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90040007
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
1-[1-(3-amino-2-pyridinyl)piperidin-4-yl]piperidin-2-one
CID 71155695

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one?
The IUPAC name of 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one (CID 167802123) is 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one?
The canonical SMILES for 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one is O=C1CCCCN1C1CCC(Nc2nc3ccccc3nc2N2C[C@H]3CCC[C@H]3C2)CC1.
What is the InChIKey of 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one?
The InChIKey is QRBXASMFOMXVPS-WHSGIHJSSA-N. The full InChI is InChI=1S/C26H35N5O/c32-24-10-3-4-15-31(24)21-13-11-20(12-14-21)27-25-26(29-23-9-2-1-8-22(23)28-25)30-16-18-6-5-7-19(18)17-30/h1-2,8-9,18-21H,3-7,10-17H2,(H,27,28)/t18-,19+,20?,21?.
What are the key properties of 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one?
1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one has a molecular weight of 433.60 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one is sourced from PubChem (CID 167802123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).