1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea

C28H32ClN3O — CID 141069770

About 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea

1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea (PubChem CID 141069770) has the molecular formula C28H32ClN3O and a molecular weight of 462.04 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea.

Molecular Properties

• Compound Name: 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea
• PubChem CID: 141069770
• Molecular Formula: C28H32ClN3O
• Molecular Weight: 462.04 g/mol
• Exact Mass: 461.22
• IUPAC Name: 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea
• SMILES: O=C(Nc1cccc2ccccc12)N[C@@H]1CCC[C@H]1N1CCC(Cc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C28H32ClN3O/c29-23-13-11-20(12-14-23)19-21-15-17-32(18-16-21)27-10-4-9-26(27)31-28(33)30-25-8-3-6-22-5-1-2-7-24(22)25/h1-3,5-8,11-14,21,26-27H,4,9-10,15-19H2,(H2,30,31,33)/t26-,27-/m1/s1
• InChIKey: BRZXLXYBGXYTSS-KAYWLYCHSA-N
• XLogP: 6.49
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.04
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea?

The IUPAC name of 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea (CID 141069770) is 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea.

What is the SMILES notation for 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea?

The canonical SMILES for 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea is O=C(Nc1cccc2ccccc12)N[C@@H]1CCC[C@H]1N1CCC(Cc2ccc(Cl)cc2)CC1.

What is the InChIKey of 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea?

The InChIKey is BRZXLXYBGXYTSS-KAYWLYCHSA-N. The full InChI is InChI=1S/C28H32ClN3O/c29-23-13-11-20(12-14-23)19-21-15-17-32(18-16-21)27-10-4-9-26(27)31-28(33)30-25-8-3-6-22-5-1-2-7-24(22)25/h1-3,5-8,11-14,21,26-27H,4,9-10,15-19H2,(H2,30,31,33)/t26-,27-/m1/s1.

What are the key properties of 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea?

1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea has a molecular weight of 462.04 g/mol, XLogP of 6.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 141069770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).