3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one

C21H33N5O2 — CID 45185797

IUPAC3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
SMILESCN(C)CCCN(C)C1CCCN(C(=O)CCn2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C21H33N5O2/c1-23(2)12-7-13-24(3)17-8-6-14-25(16-17)20(27)11-15-26-19-10-5-4-9-18(19)22-21(26)28/h4-5,9-10,17H,6-8,11-16H2,1-3H3,(H,22,28)
InChIKeySAXWMLFKVFXIDG-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.59
Rot. Bonds8

About 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one

3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one (PubChem CID 45185797) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
PubChem CID45185797
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
SMILESCN(C)CCCN(C)C1CCCN(C(=O)CCn2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C21H33N5O2/c1-23(2)12-7-13-24(3)17-8-6-14-25(16-17)20(27)11-15-26-19-10-5-4-9-18(19)22-21(26)28/h4-5,9-10,17H,6-8,11-16H2,1-3H3,(H,22,28)
InChIKeySAXWMLFKVFXIDG-UHFFFAOYSA-N
XLogP1.59
TPSA64.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-3-[3-(2-oxo-3H-benzimidazol-1-yl)propanoyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 77094676
3-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 70772986
(3R,4S)-3-hydroxy-1-[3-(2-oxo-3H-benzimidazol-1-yl)propanoyl]-4-propylpiperidine-4-carboxylic acid
CID 157015807
3-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 111824839
(5S)-3-methyl-9-[3-(2-oxo-3H-benzimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99970275
1-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-2-(2,3-dimethylphenoxy)ethanone
CID 56891228
3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119413160
CID 70523740
CID 70523740
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-methylsulfanylethanone
CID 45175382
1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 110031501
3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 135089647
1-[4-(dimethylamino)azepan-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 56907377

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one (CID 45185797) is 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one is CN(C)CCCN(C)C1CCCN(C(=O)CCn2c(=O)[nH]c3ccccc32)C1.
What is the InChIKey of 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one?
The InChIKey is SAXWMLFKVFXIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-23(2)12-7-13-24(3)17-8-6-14-25(16-17)20(27)11-15-26-19-10-5-4-9-18(19)22-21(26)28/h4-5,9-10,17H,6-8,11-16H2,1-3H3,(H,22,28).
What are the key properties of 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one?
3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one has a molecular weight of 387.53 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 45185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).