N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C25H30N4O2S — CID 55556615

IUPACN-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H30N4O2S/c1-25(2,3)21-15-22(29(27-21)16-18-9-5-4-6-10-18)26-23(30)19-11-7-13-28(17-19)24(31)20-12-8-14-32-20/h4-6,8-10,12,14-15,19H,7,11,13,16-17H2,1-3H3,(H,26,30)
InChIKeyKRMIQRYGNFWOQG-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.78
Rot. Bonds5

About N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55556615) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55556615
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H30N4O2S/c1-25(2,3)21-15-22(29(27-21)16-18-9-5-4-6-10-18)26-23(30)19-11-7-13-28(17-19)24(31)20-12-8-14-32-20/h4-6,8-10,12,14-15,19H,7,11,13,16-17H2,1-3H3,(H,26,30)
InChIKeyKRMIQRYGNFWOQG-UHFFFAOYSA-N
XLogP4.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-benzyl-3-tert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122075393
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55554934
N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide
CID 119279361
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-(2-fluoro-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062205
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86934095
N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55643259
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687718
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55556615) is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is KRMIQRYGNFWOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-25(2,3)21-15-22(29(27-21)16-18-9-5-4-6-10-18)26-23(30)19-11-7-13-28(17-19)24(31)20-12-8-14-32-20/h4-6,8-10,12,14-15,19H,7,11,13,16-17H2,1-3H3,(H,26,30).
What are the key properties of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55556615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).