ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate

C22H30N4O3 — CID 110413306

IUPACethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2nc(C3CCCCC3)n3ccccc23)CC1
InChIInChI=1S/C22H30N4O3/c1-2-29-22(28)25-14-11-17(12-15-25)23-21(27)19-18-10-6-7-13-26(18)20(24-19)16-8-4-3-5-9-16/h6-7,10,13,16-17H,2-5,8-9,11-12,14-15H2,1H3,(H,23,27)
InChIKeyJYVNJWBVQRCBCT-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.73
Rot. Bonds4

About ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 110413306) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate
PubChem CID110413306
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Nameethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2nc(C3CCCCC3)n3ccccc23)CC1
InChIInChI=1S/C22H30N4O3/c1-2-29-22(28)25-14-11-17(12-15-25)23-21(27)19-18-10-6-7-13-26(18)20(24-19)16-8-4-3-5-9-16/h6-7,10,13,16-17H,2-5,8-9,11-12,14-15H2,1H3,(H,23,27)
InChIKeyJYVNJWBVQRCBCT-UHFFFAOYSA-N
XLogP3.73
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate
CID 110625495
N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630721
N-(2-benzamidoethyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630596
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110626369
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-cycloheptyl-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069951
N-cyclohexyl-3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068588
N-(3-acetamidopropyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630719
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
ethyl 4-[[6-(piperidine-1-carbonyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109095151

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate (CID 110413306) is ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2nc(C3CCCCC3)n3ccccc23)CC1.
What is the InChIKey of ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is JYVNJWBVQRCBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-2-29-22(28)25-14-11-17(12-15-25)23-21(27)19-18-10-6-7-13-26(18)20(24-19)16-8-4-3-5-9-16/h6-7,10,13,16-17H,2-5,8-9,11-12,14-15H2,1H3,(H,23,27).
What are the key properties of ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 398.51 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110413306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).