1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide

C23H37N5O — CID 122176159

IUPAC1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide
SMILESCC(C)CN(CCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)CC(C)C
InChIInChI=1S/C23H37N5O/c1-17(2)15-27(16-18(3)4)14-11-24-22(29)19-9-12-28(13-10-19)23-25-20-7-5-6-8-21(20)26-23/h5-8,17-19H,9-16H2,1-4H3,(H,24,29)(H,25,26)
InChIKeyAZBJMKPHUFLZDI-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.51
Rot. Bonds9

About 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide

1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 122176159) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide
PubChem CID122176159
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide
SMILESCC(C)CN(CCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)CC(C)C
InChIInChI=1S/C23H37N5O/c1-17(2)15-27(16-18(3)4)14-11-24-22(29)19-9-12-28(13-10-19)23-25-20-7-5-6-8-21(20)26-23/h5-8,17-19H,9-16H2,1-4H3,(H,24,29)(H,25,26)
InChIKeyAZBJMKPHUFLZDI-UHFFFAOYSA-N
XLogP3.51
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide (CID 122176159) is 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide is CC(C)CN(CCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)CC(C)C.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is AZBJMKPHUFLZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-17(2)15-27(16-18(3)4)14-11-24-22(29)19-9-12-28(13-10-19)23-25-20-7-5-6-8-21(20)26-23/h5-8,17-19H,9-16H2,1-4H3,(H,24,29)(H,25,26).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide?
1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 122176159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).