cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

C21H38Co2N3O2- — CID 59234467

About cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 59234467) has the molecular formula C21H38Co2N3O2- and a molecular weight of 482.42 g/mol. Its IUPAC name is cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
• PubChem CID: 59234467
• Molecular Formula: C21H38Co2N3O2-
• Molecular Weight: 482.42 g/mol
• Exact Mass: 482.16
• IUPAC Name: cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
• SMILES: C/[C-]=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCCN1C)C(C)(C)C.[Co].[Co]
• InChI: InChI=1S/C21H38N3O2.2Co/c1-9-12-16(15(2)3)24(8)20(26)18(21(4,5)6)22-19(25)17-13-10-11-14-23(17)7;;/h12,15-18H,10-11,13-14H2,1-8H3,(H,22,25);;/q-1;;/t16-,17?,18-;;/m1../s1
• InChIKey: ZMRXUDPFMCNBFC-IGLIOLRTSA-N
• XLogP: 2.86
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.42
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?

The IUPAC name of cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (CID 59234467) is cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.

What is the SMILES notation for cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?

The canonical SMILES for cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is C/[C-]=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCCN1C)C(C)(C)C.[Co].[Co].

What is the InChIKey of cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?

The InChIKey is ZMRXUDPFMCNBFC-IGLIOLRTSA-N. The full InChI is InChI=1S/C21H38N3O2.2Co/c1-9-12-16(15(2)3)24(8)20(26)18(21(4,5)6)22-19(25)17-13-10-11-14-23(17)7;;/h12,15-18H,10-11,13-14H2,1-8H3,(H,22,25);;/q-1;;/t16-,17?,18-;;/m1../s1.

What are the key properties of cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?

cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 482.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;N-[(2S)-3,3-dimethyl-1-[methyl-[(3S)-2-methylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 59234467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).