N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

C18H23N5O2 — CID 91834859

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCn1ccnc1CCNC(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H23N5O2/c1-22-13-10-20-16(22)4-9-21-17(24)14-5-11-23(12-6-14)18(25)15-2-7-19-8-3-15/h2-3,7-8,10,13-14H,4-6,9,11-12H2,1H3,(H,21,24)
InChIKeyJOPOLGUVAPPNCV-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.03
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 91834859) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
PubChem CID91834859
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCn1ccnc1CCNC(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H23N5O2/c1-22-13-10-20-16(22)4-9-21-17(24)14-5-11-23(12-6-14)18(25)15-2-7-19-8-3-15/h2-3,7-8,10,13-14H,4-6,9,11-12H2,1H3,(H,21,24)
InChIKeyJOPOLGUVAPPNCV-UHFFFAOYSA-N
XLogP1.03
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79388870
(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 97216449
1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide
CID 169420316
1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 29352994
2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 86791142
N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 55851771
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134039849
1-benzoyl-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)piperidine-4-carboxamide
CID 110309713
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (CID 91834859) is N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is Cn1ccnc1CCNC(=O)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is JOPOLGUVAPPNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-13-10-20-16(22)4-9-21-17(24)14-5-11-23(12-6-14)18(25)15-2-7-19-8-3-15/h2-3,7-8,10,13-14H,4-6,9,11-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91834859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).