N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide

C21H29N5O3 — CID 72874750

IUPACN,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C21H29N5O3/c1-23(2)21(29)25-11-5-6-15(14-25)19(27)24-12-9-16(10-13-24)26-18-8-4-3-7-17(18)22-20(26)28/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,22,28)
InChIKeyZCSOZOZALJHJQX-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.89
Rot. Bonds2

About N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide

N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 72874750) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID72874750
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C21H29N5O3/c1-23(2)21(29)25-11-5-6-15(14-25)19(27)24-12-9-16(10-13-24)26-18-8-4-3-7-17(18)22-20(26)28/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,22,28)
InChIKeyZCSOZOZALJHJQX-UHFFFAOYSA-N
XLogP1.89
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 41321603
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 95377026
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 136577151
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25382426
N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 78819042
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274805
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 167872050

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide (CID 72874750) is N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1.
What is the InChIKey of N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is ZCSOZOZALJHJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-23(2)21(29)25-11-5-6-15(14-25)19(27)24-12-9-16(10-13-24)26-18-8-4-3-7-17(18)22-20(26)28/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,22,28).
What are the key properties of N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.89, 2 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)piperidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 72874750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).