1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

C23H28ClN3O3 — CID 41023335

About 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (PubChem CID 41023335) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
• PubChem CID: 41023335
• Molecular Formula: C23H28ClN3O3
• Molecular Weight: 429.95 g/mol
• Exact Mass: 429.18
• IUPAC Name: 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
• SMILES: O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C23H28ClN3O3/c24-19-7-5-18(6-8-19)23(29)27-13-9-17(10-14-27)22(28)25-16-20(21-4-3-15-30-21)26-11-1-2-12-26/h3-8,15,17,20H,1-2,9-14,16H2,(H,25,28)/t20-/m1/s1
• InChIKey: SMRQPNWKJDKOIK-HXUWFJFHSA-N
• XLogP: 3.74
• TPSA: 65.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.95
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (CID 41023335) is 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.

What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?

The InChIKey is SMRQPNWKJDKOIK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c24-19-7-5-18(6-8-19)23(29)27-13-9-17(10-14-27)22(28)25-16-20(21-4-3-15-30-21)26-11-1-2-12-26/h3-8,15,17,20H,1-2,9-14,16H2,(H,25,28)/t20-/m1/s1.

What are the key properties of 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?

1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 41023335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).