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

C24H30N4O5 — CID 68901043

IUPACethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate
SMILESCCOC(=O)OC1CCN(C(=O)c2c(NCC(=O)c3ccccc3)nc3n2CCCC3)CC1
InChIInChI=1S/C24H30N4O5/c1-2-32-24(31)33-18-11-14-27(15-12-18)23(30)21-22(26-20-10-6-7-13-28(20)21)25-16-19(29)17-8-4-3-5-9-17/h3-5,8-9,18,25H,2,6-7,10-16H2,1H3
InChIKeyMYGMMXMOTOTXKR-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.29
Rot. Bonds7

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

ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate (PubChem CID 68901043) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate
PubChem CID68901043
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Nameethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate
SMILESCCOC(=O)OC1CCN(C(=O)c2c(NCC(=O)c3ccccc3)nc3n2CCCC3)CC1
InChIInChI=1S/C24H30N4O5/c1-2-32-24(31)33-18-11-14-27(15-12-18)23(30)21-22(26-20-10-6-7-13-28(20)21)25-16-19(29)17-8-4-3-5-9-17/h3-5,8-9,18,25H,2,6-7,10-16H2,1H3
InChIKeyMYGMMXMOTOTXKR-UHFFFAOYSA-N
XLogP3.29
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate
CID 68903510
ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
CID 11956461
N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68767376
(4-ethoxypiperidin-1-yl)-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55976858
[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate
CID 91429843
(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate
CID 71896452
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone
CID 87053000
(1-benzoylpiperidin-4-yl) methanesulfonate
CID 15615416
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 4808931
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
CID 164569939
ethyl 2-(3-chloroanilino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 58357449

Frequently Asked Questions

What is the IUPAC name of ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate?
The IUPAC name of ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate (CID 68901043) is ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate.
What is the SMILES notation for ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate?
The canonical SMILES for ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate is CCOC(=O)OC1CCN(C(=O)c2c(NCC(=O)c3ccccc3)nc3n2CCCC3)CC1.
What is the InChIKey of ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate?
The InChIKey is MYGMMXMOTOTXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-2-32-24(31)33-18-11-14-27(15-12-18)23(30)21-22(26-20-10-6-7-13-28(20)21)25-16-19(29)17-8-4-3-5-9-17/h3-5,8-9,18,25H,2,6-7,10-16H2,1H3.
What are the key properties of ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate?
ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate has a molecular weight of 454.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate is sourced from PubChem (CID 68901043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).