[(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt

C28H43CoN3O — CID 143532963

IUPAC[(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt
SMILESC[C@H](C(=[Co])N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)N1CCCCC1=O
InChIInChI=1S/C28H43N3O.Co/c1-22(31-17-8-7-11-26(31)32)21-29-25-12-13-28(24-10-6-5-9-23(24)25)15-19-30(20-16-28)18-14-27(2,3)4;/h5-6,9-10,22,25,29H,7-8,11-20H2,1-4H3;/t22-,25+;/m1./s1
InChIKeyUACJMPXKALWUTE-RXTBOWBCSA-N
MW496.61 g/mol
LogP4.96
Rot. Bonds6

About [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt

[(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt (PubChem CID 143532963) has the molecular formula C28H43CoN3O and a molecular weight of 496.61 g/mol. Its IUPAC name is [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt.

Molecular Properties

Compound Name[(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt
PubChem CID143532963
Molecular FormulaC28H43CoN3O
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC Name[(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt
SMILESC[C@H](C(=[Co])N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)N1CCCCC1=O
InChIInChI=1S/C28H43N3O.Co/c1-22(31-17-8-7-11-26(31)32)21-29-25-12-13-28(24-10-6-5-9-23(24)25)15-19-30(20-16-28)18-14-27(2,3)4;/h5-6,9-10,22,25,29H,7-8,11-20H2,1-4H3;/t22-,25+;/m1./s1
InChIKeyUACJMPXKALWUTE-RXTBOWBCSA-N
XLogP4.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt?
The IUPAC name of [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt (CID 143532963) is [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt.
What is the SMILES notation for [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt?
The canonical SMILES for [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt is C[C@H](C(=[Co])N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)N1CCCCC1=O.
What is the InChIKey of [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt?
The InChIKey is UACJMPXKALWUTE-RXTBOWBCSA-N. The full InChI is InChI=1S/C28H43N3O.Co/c1-22(31-17-8-7-11-26(31)32)21-29-25-12-13-28(24-10-6-5-9-23(24)25)15-19-30(20-16-28)18-14-27(2,3)4;/h5-6,9-10,22,25,29H,7-8,11-20H2,1-4H3;/t22-,25+;/m1./s1.
What are the key properties of [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt?
[(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt has a molecular weight of 496.61 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt is sourced from PubChem (CID 143532963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).