N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen

C29H47N3O3 — CID 176578042

About N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen (PubChem CID 176578042) has the molecular formula C29H47N3O3 and a molecular weight of 485.71 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen
• PubChem CID: 176578042
• Molecular Formula: C29H47N3O3
• Molecular Weight: 485.71 g/mol
• Exact Mass: 485.36
• IUPAC Name: N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen
• SMILES: CC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)CNCC3CC3)C2)c1)C1CCCCC1.[H][H].[H][H]
• InChI: InChI=1S/C29H43N3O3.2H2/c1-20(2)28(34)27(22-8-4-3-5-9-22)31-29(35)24-11-6-10-23(16-24)25-12-7-15-32(19-25)26(33)18-30-17-21-13-14-21;;/h6,10-11,16,20-22,25,27,30H,3-5,7-9,12-15,17-19H2,1-2H3,(H,31,35);2*1H/t25?,27-;;/m1../s1
• InChIKey: DTSODCBLRKPMCD-GUXLRTIYSA-N
• XLogP: 4.79
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.71
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen?

The IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen (CID 176578042) is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen.

What is the SMILES notation for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen?

The canonical SMILES for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen is CC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)CNCC3CC3)C2)c1)C1CCCCC1.[H][H].[H][H].

What is the InChIKey of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen?

The InChIKey is DTSODCBLRKPMCD-GUXLRTIYSA-N. The full InChI is InChI=1S/C29H43N3O3.2H2/c1-20(2)28(34)27(22-8-4-3-5-9-22)31-29(35)24-11-6-10-23(16-24)25-12-7-15-32(19-25)26(33)18-30-17-21-13-14-21;;/h6,10-11,16,20-22,25,27,30H,3-5,7-9,12-15,17-19H2,1-2H3,(H,31,35);2*1H/t25?,27-;;/m1../s1.

What are the key properties of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen?

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen has a molecular weight of 485.71 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen is sourced from PubChem (CID 176578042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).