butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate

C18H24N4O3 — CID 108561542

IUPACbutyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C18H24N4O3/c1-2-3-10-25-18(24)22-8-6-14(7-9-22)21-17(23)13-4-5-15-16(11-13)20-12-19-15/h4-5,11-12,14H,2-3,6-10H2,1H3,(H,19,20)(H,21,23)
InChIKeyRSQFVDZGMOLKSG-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.69
Rot. Bonds5

About butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate

butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate (PubChem CID 108561542) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
PubChem CID108561542
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Namebutyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C18H24N4O3/c1-2-3-10-25-18(24)22-8-6-14(7-9-22)21-17(23)13-4-5-15-16(11-13)20-12-19-15/h4-5,11-12,14H,2-3,6-10H2,1H3,(H,19,20)(H,21,23)
InChIKeyRSQFVDZGMOLKSG-UHFFFAOYSA-N
XLogP2.69
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323

Frequently Asked Questions

What is the IUPAC name of butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate (CID 108561542) is butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate?
The InChIKey is RSQFVDZGMOLKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-3-10-25-18(24)22-8-6-14(7-9-22)21-17(23)13-4-5-15-16(11-13)20-12-19-15/h4-5,11-12,14H,2-3,6-10H2,1H3,(H,19,20)(H,21,23).
What are the key properties of butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate?
butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108561542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).