1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C18H25N5O4S — CID 46966762

IUPAC1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C18H25N5O4S/c19-16(24)18(22-8-2-1-3-9-22)6-10-23(11-7-18)28(26,27)13-4-5-14-15(12-13)21-17(25)20-14/h4-5,12H,1-3,6-11H2,(H2,19,24)(H2,20,21,25)
InChIKeyKCWHFTHNIDLSPY-UHFFFAOYSA-N
MW407.50 g/mol
LogP0.35
Rot. Bonds4

About 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 46966762) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID46966762
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C18H25N5O4S/c19-16(24)18(22-8-2-1-3-9-22)6-10-23(11-7-18)28(26,27)13-4-5-14-15(12-13)21-17(25)20-14/h4-5,12H,1-3,6-11H2,(H2,19,24)(H2,20,21,25)
InChIKeyKCWHFTHNIDLSPY-UHFFFAOYSA-N
XLogP0.35
TPSA132.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 126459153
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 71794413
5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119274754
5-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119696028
4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid
CID 119934831
5-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119696032
5-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 11933540
5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 56585060
5-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 126805154
5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid
CID 166306291
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 23605249
5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 8778115

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 46966762) is 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is KCWHFTHNIDLSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c19-16(24)18(22-8-2-1-3-9-22)6-10-23(11-7-18)28(26,27)13-4-5-14-15(12-13)21-17(25)20-14/h4-5,12H,1-3,6-11H2,(H2,19,24)(H2,20,21,25).
What are the key properties of 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46966762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).