4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide

C18H26N4O2 — CID 119889945

IUPAC4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCc2nc3ccccc3n2C)CCNCC1
InChIInChI=1S/C18H26N4O2/c1-22-15-7-4-3-6-14(15)21-16(22)8-5-11-20-17(23)18(24-2)9-12-19-13-10-18/h3-4,6-7,19H,5,8-13H2,1-2H3,(H,20,23)
InChIKeyNAADWXZRDGTYKG-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.39
Rot. Bonds6

About 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide

4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 119889945) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
PubChem CID119889945
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCc2nc3ccccc3n2C)CCNCC1
InChIInChI=1S/C18H26N4O2/c1-22-15-7-4-3-6-14(15)21-16(22)8-5-11-20-17(23)18(24-2)9-12-19-13-10-18/h3-4,6-7,19H,5,8-13H2,1-2H3,(H,20,23)
InChIKeyNAADWXZRDGTYKG-UHFFFAOYSA-N
XLogP1.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 119835419
1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide
CID 118790225
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567574
N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119778849
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119731855
(2R,4S)-4-hydroxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 124697255
(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 124590456
3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
CID 91769490
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide (CID 119889945) is 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide is COC1(C(=O)NCCCc2nc3ccccc3n2C)CCNCC1.
What is the InChIKey of 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide?
The InChIKey is NAADWXZRDGTYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-22-15-7-4-3-6-14(15)21-16(22)8-5-11-20-17(23)18(24-2)9-12-19-13-10-18/h3-4,6-7,19H,5,8-13H2,1-2H3,(H,20,23).
What are the key properties of 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide?
4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 119889945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).