5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

C16H18ClN3O2S — CID 164642664

About 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 164642664) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
• PubChem CID: 164642664
• Molecular Formula: C16H18ClN3O2S
• Molecular Weight: 351.86 g/mol
• Exact Mass: 351.08
• IUPAC Name: 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
• SMILES: O=C(N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O)c1ccc(Cl)s1
• InChI: InChI=1S/C16H18ClN3O2S/c17-15-5-4-14(23-15)16(22)19-12-6-8-20(10-13(12)21)9-11-3-1-2-7-18-11/h1-5,7,12-13,21H,6,8-10H2,(H,19,22)/t12-,13-/m0/s1
• InChIKey: LFKLYZXUTFZWBS-STQMWFEESA-N
• XLogP: 2.16
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.86
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (CID 164642664) is 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?

The InChIKey is LFKLYZXUTFZWBS-STQMWFEESA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-15-5-4-14(23-15)16(22)19-12-6-8-20(10-13(12)21)9-11-3-1-2-7-18-11/h1-5,7,12-13,21H,6,8-10H2,(H,19,22)/t12-,13-/m0/s1.

What are the key properties of 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?

5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 164642664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).