1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C19H24N4O3S — CID 3236120

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C19H24N4O3S/c24-19(22-17-7-3-5-14-4-1-2-6-16(14)17)15-8-10-23(11-9-15)27(25,26)18-12-20-13-21-18/h1-2,4,6,12-13,15,17H,3,5,7-11H2,(H,20,21)(H,22,24)
InChIKeyPBHAFCFWZRJQJY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.00
Rot. Bonds4

About 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 3236120) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID3236120
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C19H24N4O3S/c24-19(22-17-7-3-5-14-4-1-2-6-16(14)17)15-8-10-23(11-9-15)27(25,26)18-12-20-13-21-18/h1-2,4,6,12-13,15,17H,3,5,7-11H2,(H,20,21)(H,22,24)
InChIKeyPBHAFCFWZRJQJY-UHFFFAOYSA-N
XLogP2.00
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 3236120) is 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is PBHAFCFWZRJQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-19(22-17-7-3-5-14-4-1-2-6-16(14)17)15-8-10-23(11-9-15)27(25,26)18-12-20-13-21-18/h1-2,4,6,12-13,15,17H,3,5,7-11H2,(H,20,21)(H,22,24).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3236120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).