3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide

C18H25N5O2 — CID 86769637

IUPAC3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
SMILESCn1ccnc1CC1CCCN(C(=O)NCCOc2cccnc2)C1
InChIInChI=1S/C18H25N5O2/c1-22-10-7-20-17(22)12-15-4-3-9-23(14-15)18(24)21-8-11-25-16-5-2-6-19-13-16/h2,5-7,10,13,15H,3-4,8-9,11-12,14H2,1H3,(H,21,24)
InChIKeyMQGHFUPMOIKBFX-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.86
Rot. Bonds6

About 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide

3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide (PubChem CID 86769637) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
PubChem CID86769637
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
SMILESCn1ccnc1CC1CCCN(C(=O)NCCOc2cccnc2)C1
InChIInChI=1S/C18H25N5O2/c1-22-10-7-20-17(22)12-15-4-3-9-23(14-15)18(24)21-8-11-25-16-5-2-6-19-13-16/h2,5-7,10,13,15H,3-4,8-9,11-12,14H2,1H3,(H,21,24)
InChIKeyMQGHFUPMOIKBFX-UHFFFAOYSA-N
XLogP1.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide (CID 86769637) is 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide is Cn1ccnc1CC1CCCN(C(=O)NCCOc2cccnc2)C1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
The InChIKey is MQGHFUPMOIKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22-10-7-20-17(22)12-15-4-3-9-23(14-15)18(24)21-8-11-25-16-5-2-6-19-13-16/h2,5-7,10,13,15H,3-4,8-9,11-12,14H2,1H3,(H,21,24).
What are the key properties of 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 86769637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).