N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide

C17H24N4O2 — CID 51078345

IUPACN,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
SMILESCN(C)C(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C17H24N4O2/c1-19(2)16(22)9-12-20-10-7-13(8-11-20)21-15-6-4-3-5-14(15)18-17(21)23/h3-6,13H,7-12H2,1-2H3,(H,18,23)
InChIKeyMXXCSQZNYDUWBB-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.44
Rot. Bonds4

About N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide

N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide (PubChem CID 51078345) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
PubChem CID51078345
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
SMILESCN(C)C(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C17H24N4O2/c1-19(2)16(22)9-12-20-10-7-13(8-11-20)21-15-6-4-3-5-14(15)18-17(21)23/h3-6,13H,7-12H2,1-2H3,(H,18,23)
InChIKeyMXXCSQZNYDUWBB-UHFFFAOYSA-N
XLogP1.44
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 136577151
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531
3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968530
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 158710613
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide (CID 51078345) is N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide is CN(C)C(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
The InChIKey is MXXCSQZNYDUWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19(2)16(22)9-12-20-10-7-13(8-11-20)21-15-6-4-3-5-14(15)18-17(21)23/h3-6,13H,7-12H2,1-2H3,(H,18,23).
What are the key properties of N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide has a molecular weight of 316.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 51078345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).