(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate

C13H16N4O2 — CID 22711771

IUPAC(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate
SMILESO=C(ONc1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C13H16N4O2/c18-13(17-8-4-1-5-9-17)19-16-12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2,(H2,14,15,16)
InChIKeyVJFCGXCPWRDNDB-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.51
Rot. Bonds2

About (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate

(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate (PubChem CID 22711771) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate.

Molecular Properties

Compound Name(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate
PubChem CID22711771
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate
SMILESO=C(ONc1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C13H16N4O2/c18-13(17-8-4-1-5-9-17)19-16-12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2,(H2,14,15,16)
InChIKeyVJFCGXCPWRDNDB-UHFFFAOYSA-N
XLogP2.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47044809
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
CID 4159955
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
N-(1H-benzimidazol-2-ylmethyl)-1-methylsulfinylpyrrole-3-carboxamide;methyl piperidine-1-carboxylate
CID 156818183
N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027952
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104

Frequently Asked Questions

What is the IUPAC name of (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate?
The IUPAC name of (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate (CID 22711771) is (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate.
What is the SMILES notation for (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate?
The canonical SMILES for (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate is O=C(ONc1nc2ccccc2[nH]1)N1CCCCC1.
What is the InChIKey of (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate?
The InChIKey is VJFCGXCPWRDNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(17-8-4-1-5-9-17)19-16-12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2,(H2,14,15,16).
What are the key properties of (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate?
(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1H-benzimidazol-2-ylamino) piperidine-1-carboxylate is sourced from PubChem (CID 22711771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).