2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate

C23H23IN4O3 — CID 54072288

IUPAC2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate
SMILESO=C(Nc1cccc2nccnc12)OCCN1CCC(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C23H23IN4O3/c24-18-6-4-16(5-7-18)22(29)17-8-12-28(13-9-17)14-15-31-23(30)27-20-3-1-2-19-21(20)26-11-10-25-19/h1-7,10-11,17H,8-9,12-15H2,(H,27,30)
InChIKeyMHHDPNGUOIODEQ-UHFFFAOYSA-N
MW530.37 g/mol
LogP4.38
Rot. Bonds6

About 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate

2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate (PubChem CID 54072288) has the molecular formula C23H23IN4O3 and a molecular weight of 530.37 g/mol. Its IUPAC name is 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate.

Molecular Properties

Compound Name2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate
PubChem CID54072288
Molecular FormulaC23H23IN4O3
Molecular Weight530.37 g/mol
Exact Mass530.08
IUPAC Name2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate
SMILESO=C(Nc1cccc2nccnc12)OCCN1CCC(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C23H23IN4O3/c24-18-6-4-16(5-7-18)22(29)17-8-12-28(13-9-17)14-15-31-23(30)27-20-3-1-2-19-21(20)26-11-10-25-19/h1-7,10-11,17H,8-9,12-15H2,(H,27,30)
InChIKeyMHHDPNGUOIODEQ-UHFFFAOYSA-N
XLogP4.38
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate 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

1-[8-(3-Morpholin-4-yl-propylamino)-4-o-tolylamino-quinolin-3-yl]-butan-1-one
CID 10456244
N1-(3-Aminobenzoyl)-N2-[1-(4-pyridyl)piperidin-4-yl-methoxycarbonyl)-1,2-benzenediamine
CID 21352706
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-iodobenzoyl)amino]phenyl]carbamate
CID 21352723
N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2461800
(1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate
CID 21352729
2-morpholin-4-yl-N-quinolin-8-ylbenzamide
CID 48982857
3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-quinoxalin-6-ylbenzamide
CID 95129246
4-fluoro-N-[2-(4-quinoxalin-5-ylpiperazin-1-yl)ethyl]benzamide
CID 20041020
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-quinolin-5-ylcarbamate
CID 53743719
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-8-ylcarbamate
CID 53966245
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate
CID 54016238
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate
CID 54040826

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate?
The IUPAC name of 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate (CID 54072288) is 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate.
What is the SMILES notation for 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate?
The canonical SMILES for 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate is O=C(Nc1cccc2nccnc12)OCCN1CCC(C(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate?
The InChIKey is MHHDPNGUOIODEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23IN4O3/c24-18-6-4-16(5-7-18)22(29)17-8-12-28(13-9-17)14-15-31-23(30)27-20-3-1-2-19-21(20)26-11-10-25-19/h1-7,10-11,17H,8-9,12-15H2,(H,27,30).
What are the key properties of 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate?
2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate has a molecular weight of 530.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate is sourced from PubChem (CID 54072288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).