CID 174445548

C29H33FNO4Si — CID 174445548

IUPAC—
SMILESCOc1ccc2ccc(COC3CN(C(=O)OC(C)(C)C(C)[Si])CCC3c3ccc(F)cc3)cc2c1
InChIInChI=1S/C29H33FNO4Si/c1-19(36)29(2,3)35-28(32)31-14-13-26(22-7-10-24(30)11-8-22)27(17-31)34-18-20-5-6-21-9-12-25(33-4)16-23(21)15-20/h5-12,15-16,19,26-27H,13-14,17-18H2,1-4H3
InChIKeyCVPNFWKWEDVKMS-UHFFFAOYSA-N
MW506.67 g/mol
LogP6.25
Rot. Bonds7

About CID 174445548

CID 174445548 (PubChem CID 174445548) has the molecular formula C29H33FNO4Si and a molecular weight of 506.67 g/mol.

Molecular Properties

Compound NameCID 174445548
PubChem CID174445548
Molecular FormulaC29H33FNO4Si
Molecular Weight506.67 g/mol
Exact Mass506.22
IUPAC Name—
SMILESCOc1ccc2ccc(COC3CN(C(=O)OC(C)(C)C(C)[Si])CCC3c3ccc(F)cc3)cc2c1
InChIInChI=1S/C29H33FNO4Si/c1-19(36)29(2,3)35-28(32)31-14-13-26(22-7-10-24(30)11-8-22)27(17-31)34-18-20-5-6-21-9-12-25(33-4)16-23(21)15-20/h5-12,15-16,19,26-27H,13-14,17-18H2,1-4H3
InChIKeyCVPNFWKWEDVKMS-UHFFFAOYSA-N
XLogP6.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[4-[2-(4-methoxybenzoyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 86604407
tert-butyl 4-[4-[2-(3-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 54301673
tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-[(E)-4-phenoxybut-2-enoxy]phenyl]piperidine-1-carboxylate
CID 86604489
tert-butyl 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 86604453
tert-butyl 4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 139787592
tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenylmethoxybutoxy)phenyl]piperidine-1-carboxylate
CID 54446458
tert-butyl 4-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 54275954
tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 69224292
tert-butyl 4-(6-methylsulfonyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 139787611
4-(4-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methoxy]piperidine
CID 22126304
tert-butyl 4-[4-[2-(furan-3-carbonyloxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22126969
benzoyl chloride;tert-butyl 4-[4-(3-benzoyloxypropyl)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 159062385

Frequently Asked Questions

What is the IUPAC name of CID 174445548?
The IUPAC name of CID 174445548 (CID 174445548) is not available.
What is the SMILES notation for CID 174445548?
The canonical SMILES for CID 174445548 is COc1ccc2ccc(COC3CN(C(=O)OC(C)(C)C(C)[Si])CCC3c3ccc(F)cc3)cc2c1.
What is the InChIKey of CID 174445548?
The InChIKey is CVPNFWKWEDVKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FNO4Si/c1-19(36)29(2,3)35-28(32)31-14-13-26(22-7-10-24(30)11-8-22)27(17-31)34-18-20-5-6-21-9-12-25(33-4)16-23(21)15-20/h5-12,15-16,19,26-27H,13-14,17-18H2,1-4H3.
What are the key properties of CID 174445548?
CID 174445548 has a molecular weight of 506.67 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174445548 is sourced from PubChem (CID 174445548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).