ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate

C23H29N5O5 — CID 68903510

IUPACethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate
SMILESCCOC(=O)ON1CCN(C(=O)c2c(NCC(=O)c3ccccc3)nc3n2CCCC3)CC1
InChIInChI=1S/C23H29N5O5/c1-2-32-23(31)33-27-14-12-26(13-15-27)22(30)20-21(25-19-10-6-7-11-28(19)20)24-16-18(29)17-8-4-3-5-9-17/h3-5,8-9,24H,2,6-7,10-16H2,1H3
InChIKeySOUOJNXJMYWBND-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.36
Rot. Bonds7

About ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate

ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate (PubChem CID 68903510) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate.

Molecular Properties

Compound Nameethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate
PubChem CID68903510
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC Nameethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate
SMILESCCOC(=O)ON1CCN(C(=O)c2c(NCC(=O)c3ccccc3)nc3n2CCCC3)CC1
InChIInChI=1S/C23H29N5O5/c1-2-32-23(31)33-27-14-12-26(13-15-27)22(30)20-21(25-19-10-6-7-11-28(19)20)24-16-18(29)17-8-4-3-5-9-17/h3-5,8-9,24H,2,6-7,10-16H2,1H3
InChIKeySOUOJNXJMYWBND-UHFFFAOYSA-N
XLogP2.36
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate with MolForge

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Related Compounds

ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate
CID 68901043
N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68767376
[2-(methylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 68900876
[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate
CID 91429843
ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
CID 11956461
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 125453739
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
CID 164569939
(4-ethoxypiperidin-1-yl)-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55976858
[4-[(2S)-2-[(4,6-diphenylpyridine-2-carbonyl)amino]-3-(2H-tetrazol-5-yl)propanoyl]piperazin-1-yl] ethyl carbonate
CID 90113791
2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 130399044
tert-butyl (4S)-4-[(4-cyclopentyloxy-6-phenylpyridine-2-carbonyl)amino]-5-(4-ethoxycarbonyloxypiperazin-1-yl)-5-oxopentanoate
CID 90113918

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate?
The IUPAC name of ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate (CID 68903510) is ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate.
What is the SMILES notation for ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate?
The canonical SMILES for ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate is CCOC(=O)ON1CCN(C(=O)c2c(NCC(=O)c3ccccc3)nc3n2CCCC3)CC1.
What is the InChIKey of ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate?
The InChIKey is SOUOJNXJMYWBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-2-32-23(31)33-27-14-12-26(13-15-27)22(30)20-21(25-19-10-6-7-11-28(19)20)24-16-18(29)17-8-4-3-5-9-17/h3-5,8-9,24H,2,6-7,10-16H2,1H3.
What are the key properties of ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate?
ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate has a molecular weight of 455.52 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate is sourced from PubChem (CID 68903510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).