3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride

C15H21ClN4O2 — CID 119469480

IUPAC3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H20N4O2.ClH/c16-9-11-5-3-4-8-18(11)14(20)10-19-13-7-2-1-6-12(13)17-15(19)21;/h1-2,6-7,11H,3-5,8-10,16H2,(H,17,21);1H
InChIKeySAFCHFAEBBUMKW-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.09
Rot. Bonds3

About 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride

3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride (PubChem CID 119469480) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
PubChem CID119469480
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H20N4O2.ClH/c16-9-11-5-3-4-8-18(11)14(20)10-19-13-7-2-1-6-12(13)17-15(19)21;/h1-2,6-7,11H,3-5,8-10,16H2,(H,17,21);1H
InChIKeySAFCHFAEBBUMKW-UHFFFAOYSA-N
XLogP1.09
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119651884
10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119632340
2-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119468460
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one
CID 113195404
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 138996391
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119651054
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one
CID 138995663
(3S)-4-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125119311
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119651055
4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 119466724

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride (CID 119469480) is 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride is Cl.NCC1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is SAFCHFAEBBUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c16-9-11-5-3-4-8-18(11)14(20)10-19-13-7-2-1-6-12(13)17-15(19)21;/h1-2,6-7,11H,3-5,8-10,16H2,(H,17,21);1H.
What are the key properties of 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride?
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 119469480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).