N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C33H49F3N4O2Si — CID 131743406

IUPACN-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCC(C)(C)[Si](C)(C)OC1CCC(N2CC(CC#N)(N3CCC(N(C(=O)C(F)(F)F)[C@@H]4C[C@H]4c4ccccc4)CC3)C2)CC1
InChIInChI=1S/C33H49F3N4O2Si/c1-31(2,3)43(4,5)42-27-13-11-25(12-14-27)38-22-32(23-38,17-18-37)39-19-15-26(16-20-39)40(30(41)33(34,35)36)29-21-28(29)24-9-7-6-8-10-24/h6-10,25-29H,11-17,19-23H2,1-5H3/t25?,27?,28-,29+/m0/s1
InChIKeyWPELGLRFFAJKJH-CELXHWPFSA-N
MW618.86 g/mol
LogP6.70
Rot. Bonds8

About N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 131743406) has the molecular formula C33H49F3N4O2Si and a molecular weight of 618.86 g/mol. Its IUPAC name is N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID131743406
Molecular FormulaC33H49F3N4O2Si
Molecular Weight618.86 g/mol
Exact Mass618.36
IUPAC NameN-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCC(C)(C)[Si](C)(C)OC1CCC(N2CC(CC#N)(N3CCC(N(C(=O)C(F)(F)F)[C@@H]4C[C@H]4c4ccccc4)CC3)C2)CC1
InChIInChI=1S/C33H49F3N4O2Si/c1-31(2,3)43(4,5)42-27-13-11-25(12-14-27)38-22-32(23-38,17-18-37)39-19-15-26(16-20-39)40(30(41)33(34,35)36)29-21-28(29)24-9-7-6-8-10-24/h6-10,25-29H,11-17,19-23H2,1-5H3/t25?,27?,28-,29+/m0/s1
InChIKeyWPELGLRFFAJKJH-CELXHWPFSA-N
XLogP6.70
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.86
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 131743406) is N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is CC(C)(C)[Si](C)(C)OC1CCC(N2CC(CC#N)(N3CCC(N(C(=O)C(F)(F)F)[C@@H]4C[C@H]4c4ccccc4)CC3)C2)CC1.
What is the InChIKey of N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is WPELGLRFFAJKJH-CELXHWPFSA-N. The full InChI is InChI=1S/C33H49F3N4O2Si/c1-31(2,3)43(4,5)42-27-13-11-25(12-14-27)38-22-32(23-38,17-18-37)39-19-15-26(16-20-39)40(30(41)33(34,35)36)29-21-28(29)24-9-7-6-8-10-24/h6-10,25-29H,11-17,19-23H2,1-5H3/t25?,27?,28-,29+/m0/s1.
What are the key properties of N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 618.86 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(cyanomethyl)azetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 131743406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).