4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one

C23H32N4O2 — CID 46435051

IUPAC4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)C1
InChIInChI=1S/C23H32N4O2/c1-17-6-5-13-27(16-17)23(29)18-11-14-26(15-12-18)22(28)10-4-9-21-24-19-7-2-3-8-20(19)25-21/h2-3,7-8,17-18H,4-6,9-16H2,1H3,(H,24,25)
InChIKeyNQJLLIIVABZOGD-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.38
Rot. Bonds5

About 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one

4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 46435051) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID46435051
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)C1
InChIInChI=1S/C23H32N4O2/c1-17-6-5-13-27(16-17)23(29)18-11-14-26(15-12-18)22(28)10-4-9-21-24-19-7-2-3-8-20(19)25-21/h2-3,7-8,17-18H,4-6,9-16H2,1H3,(H,24,25)
InChIKeyNQJLLIIVABZOGD-UHFFFAOYSA-N
XLogP3.38
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
CID 46411383
4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one
CID 46410513
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 96580580
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
2-(1H-benzimidazol-2-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]ethanone
CID 126439280
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
CID 154738785

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 46435051) is 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one is CC1CCCN(C(=O)C2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)C1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is NQJLLIIVABZOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17-6-5-13-27(16-17)23(29)18-11-14-26(15-12-18)22(28)10-4-9-21-24-19-7-2-3-8-20(19)25-21/h2-3,7-8,17-18H,4-6,9-16H2,1H3,(H,24,25).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 396.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 46435051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).