N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide

C26H33N7O4 — CID 171683325

IUPACN-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4[nH]cnc34)CC2)CC1
InChIInChI=1S/C26H33N7O4/c1-17(34)31-23(13-18-14-27-15-28-18)26(36)33-11-7-20(8-12-33)37-19-5-9-32(10-6-19)25(35)21-3-2-4-22-24(21)30-16-29-22/h2-4,14-16,19-20,23H,5-13H2,1H3,(H,27,28)(H,29,30)(H,31,34)/t23-/m1/s1
InChIKeySCRVZGLSXDINSD-HSZRJFAPSA-N
MW507.60 g/mol
LogP1.65
Rot. Bonds7

About N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide

N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 171683325) has the molecular formula C26H33N7O4 and a molecular weight of 507.60 g/mol. Its IUPAC name is N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide
PubChem CID171683325
Molecular FormulaC26H33N7O4
Molecular Weight507.60 g/mol
Exact Mass507.26
IUPAC NameN-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4[nH]cnc34)CC2)CC1
InChIInChI=1S/C26H33N7O4/c1-17(34)31-23(13-18-14-27-15-28-18)26(36)33-11-7-20(8-12-33)37-19-5-9-32(10-6-19)25(35)21-3-2-4-22-24(21)30-16-29-22/h2-4,14-16,19-20,23H,5-13H2,1H3,(H,27,28)(H,29,30)(H,31,34)/t23-/m1/s1
InChIKeySCRVZGLSXDINSD-HSZRJFAPSA-N
XLogP1.65
TPSA136.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 118791022
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CID 23278346
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acetic acid;(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 69031038

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide (CID 171683325) is N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4[nH]cnc34)CC2)CC1.
What is the InChIKey of N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is SCRVZGLSXDINSD-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H33N7O4/c1-17(34)31-23(13-18-14-27-15-28-18)26(36)33-11-7-20(8-12-33)37-19-5-9-32(10-6-19)25(35)21-3-2-4-22-24(21)30-16-29-22/h2-4,14-16,19-20,23H,5-13H2,1H3,(H,27,28)(H,29,30)(H,31,34)/t23-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 507.60 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 171683325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).