1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

C23H27N5O2 — CID 56704411

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESCCn1ccnc1CN1CCCCC1C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C23H27N5O2/c1-2-27-15-13-24-21(27)17-28-14-7-6-10-20(28)23(29)26-18-11-12-22(25-16-18)30-19-8-4-3-5-9-19/h3-5,8-9,11-13,15-16,20H,2,6-7,10,14,17H2,1H3,(H,26,29)
InChIKeyGNMKAXGMMGBHCY-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.08
Rot. Bonds7

About 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (PubChem CID 56704411) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
PubChem CID56704411
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESCCn1ccnc1CN1CCCCC1C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C23H27N5O2/c1-2-27-15-13-24-21(27)17-28-14-7-6-10-20(28)23(29)26-18-11-12-22(25-16-18)30-19-8-4-3-5-9-19/h3-5,8-9,11-13,15-16,20H,2,6-7,10,14,17H2,1H3,(H,26,29)
InChIKeyGNMKAXGMMGBHCY-UHFFFAOYSA-N
XLogP4.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 45197081
(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 25274218
(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide
CID 42198878
(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 42099019
(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 42286968
methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
CID 78990366
1-[(1-ethylimidazol-2-yl)methyl]azocane-2-carboxylic acid
CID 114239952
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274155
(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 97279481
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
CID 97454834

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (CID 56704411) is 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is CCn1ccnc1CN1CCCCC1C(=O)Nc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The InChIKey is GNMKAXGMMGBHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-27-15-13-24-21(27)17-28-14-7-6-10-20(28)23(29)26-18-11-12-22(25-16-18)30-19-8-4-3-5-9-19/h3-5,8-9,11-13,15-16,20H,2,6-7,10,14,17H2,1H3,(H,26,29).
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 56704411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).