5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide

C20H25N3O2S — CID 136515255

IUPAC5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1
InChIInChI=1S/C20H25N3O2S/c1-20(2,3)17-5-4-16(26-17)18(24)22-15-8-12-23(13-9-15)19(25)14-6-10-21-11-7-14/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,22,24)
InChIKeyABQSJXKWPRXANR-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.48
Rot. Bonds3

About 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide

5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 136515255) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID136515255
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1
InChIInChI=1S/C20H25N3O2S/c1-20(2,3)17-5-4-16(26-17)18(24)22-15-8-12-23(13-9-15)19(25)14-6-10-21-11-7-14/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,22,24)
InChIKeyABQSJXKWPRXANR-UHFFFAOYSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 47925520
5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 60513827
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515960
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
CID 108551795
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 47057312

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide (CID 136515255) is 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide is CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1.
What is the InChIKey of 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is ABQSJXKWPRXANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-20(2,3)17-5-4-16(26-17)18(24)22-15-8-12-23(13-9-15)19(25)14-6-10-21-11-7-14/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,22,24).
What are the key properties of 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 136515255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).