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

C26H27N5O2 — CID 25274218

IUPAC(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESCn1c(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)nc2ccccc21
InChIInChI=1S/C26H27N5O2/c1-30-22-12-6-5-11-21(22)29-24(30)18-31-16-8-7-13-23(31)26(32)28-19-14-15-25(27-17-19)33-20-9-3-2-4-10-20/h2-6,9-12,14-15,17,23H,7-8,13,16,18H2,1H3,(H,28,32)/t23-/m0/s1
InChIKeyNEMVKWYFIXIZIW-QHCPKHFHSA-N
MW441.54 g/mol
LogP4.75
Rot. Bonds6

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

(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (PubChem CID 25274218) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
PubChem CID25274218
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESCn1c(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)nc2ccccc21
InChIInChI=1S/C26H27N5O2/c1-30-22-12-6-5-11-21(22)29-24(30)18-31-16-8-7-13-23(31)26(32)28-19-14-15-25(27-17-19)33-20-9-3-2-4-10-20/h2-6,9-12,14-15,17,23H,7-8,13,16,18H2,1H3,(H,28,32)/t23-/m0/s1
InChIKeyNEMVKWYFIXIZIW-QHCPKHFHSA-N
XLogP4.75
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 45197081
1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 56704411
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
(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
(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 97279481
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
CID 97454834
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
1-(furan-2-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 24793063
N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 166213314

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (CID 25274218) is (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is Cn1c(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)nc2ccccc21.
What is the InChIKey of (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The InChIKey is NEMVKWYFIXIZIW-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-30-22-12-6-5-11-21(22)29-24(30)18-31-16-8-7-13-23(31)26(32)28-19-14-15-25(27-17-19)33-20-9-3-2-4-10-20/h2-6,9-12,14-15,17,23H,7-8,13,16,18H2,1H3,(H,28,32)/t23-/m0/s1.
What are the key properties of (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 25274218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).