1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C17H22N4O4S — CID 6621880

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-25-15-4-2-13(3-5-15)10-19-17(22)14-6-8-21(9-7-14)26(23,24)16-11-18-12-20-16/h2-5,11-12,14H,6-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyHLZYHMUUAQWDOT-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.14
Rot. Bonds6

About 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 6621880) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID6621880
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-25-15-4-2-13(3-5-15)10-19-17(22)14-6-8-21(9-7-14)26(23,24)16-11-18-12-20-16/h2-5,11-12,14H,6-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyHLZYHMUUAQWDOT-UHFFFAOYSA-N
XLogP1.14
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 6621880) is 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HLZYHMUUAQWDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-25-15-4-2-13(3-5-15)10-19-17(22)14-6-8-21(9-7-14)26(23,24)16-11-18-12-20-16/h2-5,11-12,14H,6-10H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 6621880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).