[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone

C19H25N3O2 — CID 96580580

IUPAC[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H25N3O2/c23-19(15-7-10-24-11-8-15)22-9-3-4-14(13-22)12-18-20-16-5-1-2-6-17(16)21-18/h1-2,5-6,14-15H,3-4,7-13H2,(H,20,21)/t14-/m1/s1
InChIKeyFNXLQQKDUWIISL-CQSZACIVSA-N
MW327.43 g/mol
LogP2.77
Rot. Bonds3

About [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone

[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 96580580) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID96580580
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H25N3O2/c23-19(15-7-10-24-11-8-15)22-9-3-4-14(13-22)12-18-20-16-5-1-2-6-17(16)21-18/h1-2,5-6,14-15H,3-4,7-13H2,(H,20,21)/t14-/m1/s1
InChIKeyFNXLQQKDUWIISL-CQSZACIVSA-N
XLogP2.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
4-[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]benzonitrile
CID 97112186
1-[3-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]phenyl]ethanone
CID 97126619
5-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 91771611
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(1-benzofuran-5-yl)methanone
CID 97150529
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 95227399
1-[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 96581228
(3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 125444272
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl)-3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxamide
CID 134127553
5-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 70787291
[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70720168
2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 125418732

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 96580580) is [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is FNXLQQKDUWIISL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19(15-7-10-24-11-8-15)22-9-3-4-14(13-22)12-18-20-16-5-1-2-6-17(16)21-18/h1-2,5-6,14-15H,3-4,7-13H2,(H,20,21)/t14-/m1/s1.
What are the key properties of [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 96580580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).