1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide

C17H30N4O3S — CID 5323033

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C17H30N4O3S/c1-13(2)10-20(11-14(3)4)17(22)15-5-7-21(8-6-15)25(23,24)16-9-18-12-19-16/h9,12-15H,5-8,10-11H2,1-4H3,(H,18,19)
InChIKeyCEYYUEZHFKMSFV-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.95
Rot. Bonds7

About 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 5323033) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide
PubChem CID5323033
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C17H30N4O3S/c1-13(2)10-20(11-14(3)4)17(22)15-5-7-21(8-6-15)25(23,24)16-9-18-12-19-16/h9,12-15H,5-8,10-11H2,1-4H3,(H,18,19)
InChIKeyCEYYUEZHFKMSFV-UHFFFAOYSA-N
XLogP1.95
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide (CID 5323033) is 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide is CC(C)CN(CC(C)C)C(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is CEYYUEZHFKMSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-13(2)10-20(11-14(3)4)17(22)15-5-7-21(8-6-15)25(23,24)16-9-18-12-19-16/h9,12-15H,5-8,10-11H2,1-4H3,(H,18,19).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 5323033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).