(2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide

C27H31N3O2 — CID 163231794

About (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide

(2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide (PubChem CID 163231794) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide
• PubChem CID: 163231794
• Molecular Formula: C27H31N3O2
• Molecular Weight: 429.56 g/mol
• Exact Mass: 429.24
• IUPAC Name: (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide
• SMILES: Cc1ccc(NC(=O)[C@H]2CCCCN2C)cc1C(=O)N[C@H](C)c1cccc2ccccc12
• InChI: InChI=1S/C27H31N3O2/c1-18-14-15-21(29-27(32)25-13-6-7-16-30(25)3)17-24(18)26(31)28-19(2)22-12-8-10-20-9-4-5-11-23(20)22/h4-5,8-12,14-15,17,19,25H,6-7,13,16H2,1-3H3,(H,28,31)(H,29,32)/t19-,25-/m1/s1
• InChIKey: DYLRDIXGOVRWAJ-KBMIEXCESA-N
• XLogP: 5.06
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.56
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide?

The IUPAC name of (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide (CID 163231794) is (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide.

What is the SMILES notation for (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide?

The canonical SMILES for (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCCN2C)cc1C(=O)N[C@H](C)c1cccc2ccccc12.

What is the InChIKey of (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide?

The InChIKey is DYLRDIXGOVRWAJ-KBMIEXCESA-N. The full InChI is InChI=1S/C27H31N3O2/c1-18-14-15-21(29-27(32)25-13-6-7-16-30(25)3)17-24(18)26(31)28-19(2)22-12-8-10-20-9-4-5-11-23(20)22/h4-5,8-12,14-15,17,19,25H,6-7,13,16H2,1-3H3,(H,28,31)(H,29,32)/t19-,25-/m1/s1.

What are the key properties of (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide?

(2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 163231794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).