N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide

C24H36N6O2 — CID 86813158

IUPACN-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NC1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H36N6O2/c31-23(11-6-14-25-24(32)27-18-7-2-1-3-8-18)26-19-12-15-30(16-13-19)17-22-28-20-9-4-5-10-21(20)29-22/h4-5,9-10,18-19H,1-3,6-8,11-17H2,(H,26,31)(H,28,29)(H2,25,27,32)
InChIKeyUWBGFNIVUWMCMK-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.06
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide

N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide (PubChem CID 86813158) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide
PubChem CID86813158
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC NameN-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NC1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H36N6O2/c31-23(11-6-14-25-24(32)27-18-7-2-1-3-8-18)26-19-12-15-30(16-13-19)17-22-28-20-9-4-5-10-21(20)29-22/h4-5,9-10,18-19H,1-3,6-8,11-17H2,(H,26,31)(H,28,29)(H2,25,27,32)
InChIKeyUWBGFNIVUWMCMK-UHFFFAOYSA-N
XLogP3.06
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide (CID 86813158) is N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide is O=C(CCCNC(=O)NC1CCCCC1)NC1CCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide?
The InChIKey is UWBGFNIVUWMCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c31-23(11-6-14-25-24(32)27-18-7-2-1-3-8-18)26-19-12-15-30(16-13-19)17-22-28-20-9-4-5-10-21(20)29-22/h4-5,9-10,18-19H,1-3,6-8,11-17H2,(H,26,31)(H,28,29)(H2,25,27,32).
What are the key properties of N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide?
N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide has a molecular weight of 440.59 g/mol, XLogP of 3.06, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide is sourced from PubChem (CID 86813158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).