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

C28H35N5O2 — CID 163231726

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

N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide (PubChem CID 163231726) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide
• PubChem CID: 163231726
• Molecular Formula: C28H35N5O2
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.28
• IUPAC Name: N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide
• SMILES: CC(C)NCc1ccc(NC(=O)C2CNCCN2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
• InChI: InChI=1S/C28H35N5O2/c1-18(2)31-16-21-11-12-22(33-28(35)26-17-29-13-14-30-26)15-25(21)27(34)32-19(3)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,15,18-19,26,29-31H,13-14,16-17H2,1-3H3,(H,32,34)(H,33,35)/t19-,26?/m1/s1
• InChIKey: ZYKLEHMLRMLURV-ICCFGIFFSA-N
• XLogP: 3.33
• TPSA: 94.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide (CID 163231726) is N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide.

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

The canonical SMILES for N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide is CC(C)NCc1ccc(NC(=O)C2CNCCN2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.

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

The InChIKey is ZYKLEHMLRMLURV-ICCFGIFFSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-18(2)31-16-21-11-12-22(33-28(35)26-17-29-13-14-30-26)15-25(21)27(34)32-19(3)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,15,18-19,26,29-31H,13-14,16-17H2,1-3H3,(H,32,34)(H,33,35)/t19-,26?/m1/s1.

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

N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 3.33, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide is sourced from PubChem (CID 163231726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).