1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one

C19H28N4O2 — CID 119560953

IUPAC1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCC(=O)N2CCC(NC)CC2)c2ccccc21
InChIInChI=1S/C19H28N4O2/c1-3-11-22-16-6-4-5-7-17(16)23(19(22)25)14-10-18(24)21-12-8-15(20-2)9-13-21/h4-7,15,20H,3,8-14H2,1-2H3
InChIKeyOZAPBCKQLGCXOL-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.81
Rot. Bonds6

About 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one

1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one (PubChem CID 119560953) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
PubChem CID119560953
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCC(=O)N2CCC(NC)CC2)c2ccccc21
InChIInChI=1S/C19H28N4O2/c1-3-11-22-16-6-4-5-7-17(16)23(19(22)25)14-10-18(24)21-12-8-15(20-2)9-13-21/h4-7,15,20H,3,8-14H2,1-2H3
InChIKeyOZAPBCKQLGCXOL-UHFFFAOYSA-N
XLogP1.81
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one;hydrochloride
CID 119543880
1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119410437
4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119251628
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55950899
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
(3R,4R)-4-cyclopropyl-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120979025
N-methyl-2-[4-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 32528500
N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide
CID 38719285
1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 56819857
N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 39999738
1-ethyl-3-[3-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 56533669
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one?
The IUPAC name of 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one (CID 119560953) is 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one.
What is the SMILES notation for 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one?
The canonical SMILES for 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one is CCCn1c(=O)n(CCC(=O)N2CCC(NC)CC2)c2ccccc21.
What is the InChIKey of 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one?
The InChIKey is OZAPBCKQLGCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-11-22-16-6-4-5-7-17(16)23(19(22)25)14-10-18(24)21-12-8-15(20-2)9-13-21/h4-7,15,20H,3,8-14H2,1-2H3.
What are the key properties of 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one?
1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one has a molecular weight of 344.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one is sourced from PubChem (CID 119560953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).