N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide

C17H25N3O4S — CID 68722873

IUPACN-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)C1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-17(2,3)25(23,24)19-16(22)13-8-10-20(11-9-13)14-6-4-12(5-7-14)15(18)21/h4-7,13H,8-11H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeySZKVZYGGUVJRRN-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.25
Rot. Bonds4

About N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide

N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide (PubChem CID 68722873) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide
PubChem CID68722873
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)C1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-17(2,3)25(23,24)19-16(22)13-8-10-20(11-9-13)14-6-4-12(5-7-14)15(18)21/h4-7,13H,8-11H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeySZKVZYGGUVJRRN-UHFFFAOYSA-N
XLogP1.25
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide (CID 68722873) is N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)C1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide?
The InChIKey is SZKVZYGGUVJRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-17(2,3)25(23,24)19-16(22)13-8-10-20(11-9-13)14-6-4-12(5-7-14)15(18)21/h4-7,13H,8-11H2,1-3H3,(H2,18,21)(H,19,22).
What are the key properties of N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide?
N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 68722873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).