N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide

C25H37N5O2 — CID 71712466

IUPACN-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4[nH]c(C(C)C)nc34)CC2)CC1
InChIInChI=1S/C25H37N5O2/c1-17(2)24-27-22-6-4-5-21(23(22)28-24)25(32)26-15-19-7-11-29(12-8-19)16-20-9-13-30(14-10-20)18(3)31/h4-6,17,19-20H,7-16H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyLPYIFDLQYWSXGD-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.39
Rot. Bonds6

About N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide

N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 71712466) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID71712466
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC NameN-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4[nH]c(C(C)C)nc34)CC2)CC1
InChIInChI=1S/C25H37N5O2/c1-17(2)24-27-22-6-4-5-21(23(22)28-24)25(32)26-15-19-7-11-29(12-8-19)16-20-9-13-30(14-10-20)18(3)31/h4-6,17,19-20H,7-16H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyLPYIFDLQYWSXGD-UHFFFAOYSA-N
XLogP3.39
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide (CID 71712466) is N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide is CC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4[nH]c(C(C)C)nc34)CC2)CC1.
What is the InChIKey of N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is LPYIFDLQYWSXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-17(2)24-27-22-6-4-5-21(23(22)28-24)25(32)26-15-19-7-11-29(12-8-19)16-20-9-13-30(14-10-20)18(3)31/h4-6,17,19-20H,7-16H2,1-3H3,(H,26,32)(H,27,28).
What are the key properties of N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71712466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).