3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide

C17H20N4OS — CID 71936578

IUPAC3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1sccc1C1CC1
InChIInChI=1S/C17H20N4OS/c22-16(15-14(6-11-23-15)12-2-3-12)20-13-4-9-21(10-5-13)17-18-7-1-8-19-17/h1,6-8,11-13H,2-5,9-10H2,(H,20,22)
InChIKeySCWWYOZADNMWAT-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.81
Rot. Bonds4

About 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide

3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 71936578) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID71936578
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1sccc1C1CC1
InChIInChI=1S/C17H20N4OS/c22-16(15-14(6-11-23-15)12-2-3-12)20-13-4-9-21(10-5-13)17-18-7-1-8-19-17/h1,6-8,11-13H,2-5,9-10H2,(H,20,22)
InChIKeySCWWYOZADNMWAT-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide (CID 71936578) is 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide is O=C(NC1CCN(c2ncccn2)CC1)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is SCWWYOZADNMWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-16(15-14(6-11-23-15)12-2-3-12)20-13-4-9-21(10-5-13)17-18-7-1-8-19-17/h1,6-8,11-13H,2-5,9-10H2,(H,20,22).
What are the key properties of 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71936578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).