2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C16H23N5O2 — CID 119918874

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCNC1CCCN(C(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H23N5O2/c1-10(21-7-3-4-12(9-21)17-2)15(22)18-11-5-6-13-14(8-11)20-16(23)19-13/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3,(H,18,22)(H2,19,20,23)
InChIKeyHGQXFUWWWLBOMF-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.87
Rot. Bonds4

About 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 119918874) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID119918874
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCNC1CCCN(C(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H23N5O2/c1-10(21-7-3-4-12(9-21)17-2)15(22)18-11-5-6-13-14(8-11)20-16(23)19-13/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3,(H,18,22)(H2,19,20,23)
InChIKeyHGQXFUWWWLBOMF-UHFFFAOYSA-N
XLogP0.87
TPSA93.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9275584
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-piperidin-1-ylpropanamide
CID 22109568
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 98445831
(2S)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25445713
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918800
(3aS,6aR)-2-[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680160
2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride
CID 119918352
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9431483
2-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119918280
2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119919119
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 78828727

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 119918874) is 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CNC1CCCN(C(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is HGQXFUWWWLBOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10(21-7-3-4-12(9-21)17-2)15(22)18-11-5-6-13-14(8-11)20-16(23)19-13/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3,(H,18,22)(H2,19,20,23).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 119918874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).