N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide

C38H44N4O3 — CID 54441088

About N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide

N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 54441088) has the molecular formula C38H44N4O3 and a molecular weight of 604.80 g/mol. Its IUPAC name is N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
• PubChem CID: 54441088
• Molecular Formula: C38H44N4O3
• Molecular Weight: 604.80 g/mol
• Exact Mass: 604.34
• IUPAC Name: N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
• SMILES: O=C(NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC1CCCCC1)C1CCNCC1
• InChI: InChI=1S/C38H44N4O3/c43-36(30-18-20-39-21-19-30)41-35(25-27-15-17-29-9-5-7-11-32(29)23-27)38(45)42-34(37(44)40-33-12-2-1-3-13-33)24-26-14-16-28-8-4-6-10-31(28)22-26/h4-11,14-17,22-23,30,33-35,39H,1-3,12-13,18-21,24-25H2,(H,40,44)(H,41,43)(H,42,45)
• InChIKey: FCBWRUWSZSTMKR-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 99.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.80
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 54441088) is N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide is O=C(NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC1CCCCC1)C1CCNCC1.

What is the InChIKey of N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?

The InChIKey is FCBWRUWSZSTMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N4O3/c43-36(30-18-20-39-21-19-30)41-35(25-27-15-17-29-9-5-7-11-32(29)23-27)38(45)42-34(37(44)40-33-12-2-1-3-13-33)24-26-14-16-28-8-4-6-10-31(28)22-26/h4-11,14-17,22-23,30,33-35,39H,1-3,12-13,18-21,24-25H2,(H,40,44)(H,41,43)(H,42,45).

What are the key properties of N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?

N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 604.80 g/mol, XLogP of 5.20, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 54441088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).