formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide

C23H35N5O6 — CID 154909579

IUPACformic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc2nc(C3CCN(C(=O)NC4CCN(CCO)CC4)CC3)[nH]c2c1.O=CO.O=CO
InChIInChI=1S/C21H31N5O2.2CH2O2/c1-15-2-3-18-19(14-15)24-20(23-18)16-4-10-26(11-5-16)21(28)22-17-6-8-25(9-7-17)12-13-27;2*2-1-3/h2-3,14,16-17,27H,4-13H2,1H3,(H,22,28)(H,23,24);2*1H,(H,2,3)
InChIKeyIQHZDCOSQPGAAO-UHFFFAOYSA-N
MW477.56 g/mol
LogP1.62
Rot. Bonds4

About formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide

formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 154909579) has the molecular formula C23H35N5O6 and a molecular weight of 477.56 g/mol. Its IUPAC name is formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
PubChem CID154909579
Molecular FormulaC23H35N5O6
Molecular Weight477.56 g/mol
Exact Mass477.26
IUPAC Nameformic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc2nc(C3CCN(C(=O)NC4CCN(CCO)CC4)CC3)[nH]c2c1.O=CO.O=CO
InChIInChI=1S/C21H31N5O2.2CH2O2/c1-15-2-3-18-19(14-15)24-20(23-18)16-4-10-26(11-5-16)21(28)22-17-6-8-25(9-7-17)12-13-27;2*2-1-3/h2-3,14,16-17,27H,4-13H2,1H3,(H,22,28)(H,23,24);2*1H,(H,2,3)
InChIKeyIQHZDCOSQPGAAO-UHFFFAOYSA-N
XLogP1.62
TPSA159.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 51.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 108781623
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]ethanol
CID 121452087
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 108756963
2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 1437000
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide (CID 154909579) is formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide is Cc1ccc2nc(C3CCN(C(=O)NC4CCN(CCO)CC4)CC3)[nH]c2c1.O=CO.O=CO.
What is the InChIKey of formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is IQHZDCOSQPGAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2.2CH2O2/c1-15-2-3-18-19(14-15)24-20(23-18)16-4-10-26(11-5-16)21(28)22-17-6-8-25(9-7-17)12-13-27;2*2-1-3/h2-3,14,16-17,27H,4-13H2,1H3,(H,22,28)(H,23,24);2*1H,(H,2,3).
What are the key properties of formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 1.62, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154909579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).