CID 166168961

C17H21FN3O4Si — CID 166168961

IUPAC—
SMILESO=C(O)CN1CCC(c2ccc(N[Si]3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C17H21FN3O4Si/c18-14-9-12(20-26-8-5-15(22)19-17(26)25)1-2-13(14)11-3-6-21(7-4-11)10-16(23)24/h1-2,9,11,20H,3-8,10H2,(H,23,24)(H,19,22,25)
InChIKeyFNFGNYRBNWIDQT-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.71
Rot. Bonds5

About CID 166168961

CID 166168961 (PubChem CID 166168961) has the molecular formula C17H21FN3O4Si and a molecular weight of 378.46 g/mol.

Molecular Properties

Compound NameCID 166168961
PubChem CID166168961
Molecular FormulaC17H21FN3O4Si
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name—
SMILESO=C(O)CN1CCC(c2ccc(N[Si]3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C17H21FN3O4Si/c18-14-9-12(20-26-8-5-15(22)19-17(26)25)1-2-13(14)11-3-6-21(7-4-11)10-16(23)24/h1-2,9,11,20H,3-8,10H2,(H,23,24)(H,19,22,25)
InChIKeyFNFGNYRBNWIDQT-UHFFFAOYSA-N
XLogP1.71
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
CID 166472394
2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid
CID 167237711
2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid
CID 156798431
2-[4-[2-(difluoromethyl)-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetic acid
CID 156515724
2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid
CID 175548556
3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960
2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid
CID 166900322
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 175584631
3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 172591564

Frequently Asked Questions

What is the IUPAC name of CID 166168961?
The IUPAC name of CID 166168961 (CID 166168961) is not available.
What is the SMILES notation for CID 166168961?
The canonical SMILES for CID 166168961 is O=C(O)CN1CCC(c2ccc(N[Si]3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of CID 166168961?
The InChIKey is FNFGNYRBNWIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN3O4Si/c18-14-9-12(20-26-8-5-15(22)19-17(26)25)1-2-13(14)11-3-6-21(7-4-11)10-16(23)24/h1-2,9,11,20H,3-8,10H2,(H,23,24)(H,19,22,25).
What are the key properties of CID 166168961?
CID 166168961 has a molecular weight of 378.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166168961 is sourced from PubChem (CID 166168961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).