CID 156858277

C22H32N2O5Si — CID 156858277

IUPAC—
SMILESCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[Si]CCC(=O)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H32N2O5Si/c1-22(2,3)29-21(27)23-19(20(26)28-4)30-14-12-18(25)24-13-8-11-17(15-24)16-9-6-5-7-10-16/h5-7,9-10,17,19H,8,11-15H2,1-4H3,(H,23,27)/t17?,19-/m0/s1
InChIKeyJPWRZFKVBZZKOZ-NNBQYGFHSA-N
MW432.59 g/mol
LogP2.93
Rot. Bonds7

About CID 156858277

CID 156858277 (PubChem CID 156858277) has the molecular formula C22H32N2O5Si and a molecular weight of 432.59 g/mol.

Molecular Properties

Compound NameCID 156858277
PubChem CID156858277
Molecular FormulaC22H32N2O5Si
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name—
SMILESCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[Si]CCC(=O)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H32N2O5Si/c1-22(2,3)29-21(27)23-19(20(26)28-4)30-14-12-18(25)24-13-8-11-17(15-24)16-9-6-5-7-10-16/h5-7,9-10,17,19H,8,11-15H2,1-4H3,(H,23,27)/t17?,19-/m0/s1
InChIKeyJPWRZFKVBZZKOZ-NNBQYGFHSA-N
XLogP2.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate
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tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
CID 164832714
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
2-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
1-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-piperidin-1-ylpentanoate
CID 86717224
4-[1-(3-methoxypropanoyl)piperidin-3-yl]benzoic acid
CID 72850979
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182

Frequently Asked Questions

What is the IUPAC name of CID 156858277?
The IUPAC name of CID 156858277 (CID 156858277) is not available.
What is the SMILES notation for CID 156858277?
The canonical SMILES for CID 156858277 is COC(=O)[C@@H](NC(=O)OC(C)(C)C)[Si]CCC(=O)N1CCCC(c2ccccc2)C1.
What is the InChIKey of CID 156858277?
The InChIKey is JPWRZFKVBZZKOZ-NNBQYGFHSA-N. The full InChI is InChI=1S/C22H32N2O5Si/c1-22(2,3)29-21(27)23-19(20(26)28-4)30-14-12-18(25)24-13-8-11-17(15-24)16-9-6-5-7-10-16/h5-7,9-10,17,19H,8,11-15H2,1-4H3,(H,23,27)/t17?,19-/m0/s1.
What are the key properties of CID 156858277?
CID 156858277 has a molecular weight of 432.59 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156858277 is sourced from PubChem (CID 156858277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).