[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate

C24H28N4O3 — CID 46685091

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C24H28N4O3/c1-18(2)28(16-19-6-4-3-5-7-19)23(29)17-31-24(30)21-10-12-27(13-11-21)22-9-8-20(14-25)15-26-22/h3-9,15,18,21H,10-13,16-17H2,1-2H3
InChIKeyQIVRATQZZHHPEQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.15
Rot. Bonds7

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 46685091) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
PubChem CID46685091
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C24H28N4O3/c1-18(2)28(16-19-6-4-3-5-7-19)23(29)17-31-24(30)21-10-12-27(13-11-21)22-9-8-20(14-25)15-26-22/h3-9,15,18,21H,10-13,16-17H2,1-2H3
InChIKeyQIVRATQZZHHPEQ-UHFFFAOYSA-N
XLogP3.15
TPSA86.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
CID 17468210
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
CID 30124902
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
CID 46685044
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
CID 18288407
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate (CID 46685091) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is QIVRATQZZHHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-18(2)28(16-19-6-4-3-5-7-19)23(29)17-31-24(30)21-10-12-27(13-11-21)22-9-8-20(14-25)15-26-22/h3-9,15,18,21H,10-13,16-17H2,1-2H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 46685091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).