3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H30N6O2 — CID 58863232

IUPAC3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNc1cc(CN2CCC(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)ccn1
InChIInChI=1S/C24H30N6O2/c25-22-15-17(5-10-26-22)16-28-11-6-18(7-12-28)23(31)29-13-8-19(9-14-29)30-21-4-2-1-3-20(21)27-24(30)32/h1-5,10,15,18-19H,6-9,11-14,16H2,(H2,25,26)(H,27,32)
InChIKeyKJAMWQZICMXSKB-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.38
Rot. Bonds4

About 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 58863232) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID58863232
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNc1cc(CN2CCC(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)ccn1
InChIInChI=1S/C24H30N6O2/c25-22-15-17(5-10-26-22)16-28-11-6-18(7-12-28)23(31)29-13-8-19(9-14-29)30-21-4-2-1-3-20(21)27-24(30)32/h1-5,10,15,18-19H,6-9,11-14,16H2,(H2,25,26)(H,27,32)
InChIKeyKJAMWQZICMXSKB-UHFFFAOYSA-N
XLogP2.38
TPSA100.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 58863232) is 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is Nc1cc(CN2CCC(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)ccn1.
What is the InChIKey of 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is KJAMWQZICMXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c25-22-15-17(5-10-26-22)16-28-11-6-18(7-12-28)23(31)29-13-8-19(9-14-29)30-21-4-2-1-3-20(21)27-24(30)32/h1-5,10,15,18-19H,6-9,11-14,16H2,(H2,25,26)(H,27,32).
What are the key properties of 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 58863232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).