N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide

C28H52N4O3Si — CID 163392037

IUPACN-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1C(C)CCC(c2ccnn2COCC[Si](C)(C)C)C1COC1CCC(C(C)C)CC1
InChIInChI=1S/C28H52N4O3Si/c1-8-29-28(33)32-22(4)9-14-25(26-15-16-30-31(26)20-34-17-18-36(5,6)7)27(32)19-35-24-12-10-23(11-13-24)21(2)3/h15-16,21-25,27H,8-14,17-20H2,1-7H3,(H,29,33)
InChIKeyFJJJQIVZRFPHAS-UHFFFAOYSA-N
MW520.84 g/mol
LogP6.09
Rot. Bonds11

About N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide

N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 163392037) has the molecular formula C28H52N4O3Si and a molecular weight of 520.84 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID163392037
Molecular FormulaC28H52N4O3Si
Molecular Weight520.84 g/mol
Exact Mass520.38
IUPAC NameN-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1C(C)CCC(c2ccnn2COCC[Si](C)(C)C)C1COC1CCC(C(C)C)CC1
InChIInChI=1S/C28H52N4O3Si/c1-8-29-28(33)32-22(4)9-14-25(26-15-16-30-31(26)20-34-17-18-36(5,6)7)27(32)19-35-24-12-10-23(11-13-24)21(2)3/h15-16,21-25,27H,8-14,17-20H2,1-7H3,(H,29,33)
InChIKeyFJJJQIVZRFPHAS-UHFFFAOYSA-N
XLogP6.09
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.84
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 163392037) is N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide is CCNC(=O)N1C(C)CCC(c2ccnn2COCC[Si](C)(C)C)C1COC1CCC(C(C)C)CC1.
What is the InChIKey of N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is FJJJQIVZRFPHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N4O3Si/c1-8-29-28(33)32-22(4)9-14-25(26-15-16-30-31(26)20-34-17-18-36(5,6)7)27(32)19-35-24-12-10-23(11-13-24)21(2)3/h15-16,21-25,27H,8-14,17-20H2,1-7H3,(H,29,33).
What are the key properties of N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide?
N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 520.84 g/mol, XLogP of 6.09, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 163392037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).