N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide

C21H32N4O3 — CID 72902872

IUPACN-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2cc3c(cc2C)n(CC)c(=O)n3CC)C1
InChIInChI=1S/C21H32N4O3/c1-5-11-28-16-9-8-10-23(14-16)20(26)22-17-13-19-18(12-15(17)4)24(6-2)21(27)25(19)7-3/h12-13,16H,5-11,14H2,1-4H3,(H,22,26)
InChIKeyWCQKUGWSVFBXHD-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.57
Rot. Bonds6

About N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide

N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide (PubChem CID 72902872) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide
PubChem CID72902872
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2cc3c(cc2C)n(CC)c(=O)n3CC)C1
InChIInChI=1S/C21H32N4O3/c1-5-11-28-16-9-8-10-23(14-16)20(26)22-17-13-19-18(12-15(17)4)24(6-2)21(27)25(19)7-3/h12-13,16H,5-11,14H2,1-4H3,(H,22,26)
InChIKeyWCQKUGWSVFBXHD-UHFFFAOYSA-N
XLogP3.57
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
CID 95198757
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide
CID 72941296
(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide
CID 95200625
(2-methyl-5-sulfanylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107026150
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
CID 118768650
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide
CID 99580240
(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide
CID 97453314
[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 81238498
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide?
The IUPAC name of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide (CID 72902872) is N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide?
The canonical SMILES for N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide is CCCOC1CCCN(C(=O)Nc2cc3c(cc2C)n(CC)c(=O)n3CC)C1.
What is the InChIKey of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide?
The InChIKey is WCQKUGWSVFBXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-5-11-28-16-9-8-10-23(14-16)20(26)22-17-13-19-18(12-15(17)4)24(6-2)21(27)25(19)7-3/h12-13,16H,5-11,14H2,1-4H3,(H,22,26).
What are the key properties of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide?
N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide is sourced from PubChem (CID 72902872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).