CID 164860319

C18H28N3O5Pb — CID 164860319

IUPAC—
SMILESCc1cc(C2(CNC(=O)OC[Pb])CN(C(=O)OC(C)(C)C)CCC2C)on1
InChIInChI=1S/C18H28N3O5.Pb/c1-12-7-8-21(16(23)25-17(3,4)5)11-18(12,10-19-15(22)24-6)14-9-13(2)20-26-14;/h9,12H,6-8,10-11H2,1-5H3,(H,19,22);
InChIKeyMCPBGKAQINYFSK-UHFFFAOYSA-N
MW573.64 g/mol
LogP2.35
Rot. Bonds4

About CID 164860319

CID 164860319 (PubChem CID 164860319) has the molecular formula C18H28N3O5Pb and a molecular weight of 573.64 g/mol.

Molecular Properties

Compound NameCID 164860319
PubChem CID164860319
Molecular FormulaC18H28N3O5Pb
Molecular Weight573.64 g/mol
Exact Mass574.18
IUPAC Name—
SMILESCc1cc(C2(CNC(=O)OC[Pb])CN(C(=O)OC(C)(C)C)CCC2C)on1
InChIInChI=1S/C18H28N3O5.Pb/c1-12-7-8-21(16(23)25-17(3,4)5)11-18(12,10-19-15(22)24-6)14-9-13(2)20-26-14;/h9,12H,6-8,10-11H2,1-5H3,(H,19,22);
InChIKeyMCPBGKAQINYFSK-UHFFFAOYSA-N
XLogP2.35
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.64
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
methyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,2-oxazole-5-carboxylate
CID 162444848
tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130346995
tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 95777075
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
tert-butyl 4-[3-(chloromethyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 178200886
tert-butyl (3R)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176279
tert-butyl 3,3-difluoro-4-[[(6-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 134554642
tert-butyl 4-[3-[(3R)-3-[[(2S)-1-ethoxy-3-(3-methyl-1,2-oxazol-5-yl)-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 70094440
tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 103729598
tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 56950044

Frequently Asked Questions

What is the IUPAC name of CID 164860319?
The IUPAC name of CID 164860319 (CID 164860319) is not available.
What is the SMILES notation for CID 164860319?
The canonical SMILES for CID 164860319 is Cc1cc(C2(CNC(=O)OC[Pb])CN(C(=O)OC(C)(C)C)CCC2C)on1.
What is the InChIKey of CID 164860319?
The InChIKey is MCPBGKAQINYFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N3O5.Pb/c1-12-7-8-21(16(23)25-17(3,4)5)11-18(12,10-19-15(22)24-6)14-9-13(2)20-26-14;/h9,12H,6-8,10-11H2,1-5H3,(H,19,22);.
What are the key properties of CID 164860319?
CID 164860319 has a molecular weight of 573.64 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164860319 is sourced from PubChem (CID 164860319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).