N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide

C35H51N5O5 — CID 158369028

About N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide

N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 158369028) has the molecular formula C35H51N5O5 and a molecular weight of 621.82 g/mol. Its IUPAC name is N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 158369028
• Molecular Formula: C35H51N5O5
• Molecular Weight: 621.82 g/mol
• Exact Mass: 621.39
• IUPAC Name: N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide
• SMILES: CC[C@H](C)C(CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1cc(C(=O)N2CCC(CN)CC2)ccc1C
• InChI: InChI=1S/C35H51N5O5/c1-4-23(2)29(20-31(41)30(18-25-8-6-5-7-9-25)39-34(43)32-12-15-38-45-32)33(42)37-22-28-19-27(11-10-24(28)3)35(44)40-16-13-26(21-36)14-17-40/h10-12,15,19,23,25-26,29-30H,4-9,13-14,16-18,20-22,36H2,1-3H3,(H,37,42)(H,39,43)/t23-,29?,30-/m0/s1
• InChIKey: GUJODISFGLBSDZ-GKNJXCEMSA-N
• XLogP: 4.80
• TPSA: 147.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.82
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide (CID 158369028) is N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide is CC[C@H](C)C(CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1cc(C(=O)N2CCC(CN)CC2)ccc1C.

What is the InChIKey of N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is GUJODISFGLBSDZ-GKNJXCEMSA-N. The full InChI is InChI=1S/C35H51N5O5/c1-4-23(2)29(20-31(41)30(18-25-8-6-5-7-9-25)39-34(43)32-12-15-38-45-32)33(42)37-22-28-19-27(11-10-24(28)3)35(44)40-16-13-26(21-36)14-17-40/h10-12,15,19,23,25-26,29-30H,4-9,13-14,16-18,20-22,36H2,1-3H3,(H,37,42)(H,39,43)/t23-,29?,30-/m0/s1.

What are the key properties of N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide?

N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 621.82 g/mol, XLogP of 4.80, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 158369028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).