N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide

C26H35N3O2 — CID 121413046

IUPACN-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CCNCC1)N(CCOc1ccccc1)[C@H](c1ccccn1)C1CCCCC1
InChIInChI=1S/C26H35N3O2/c30-26(22-14-17-27-18-15-22)29(19-20-31-23-11-5-2-6-12-23)25(21-9-3-1-4-10-21)24-13-7-8-16-28-24/h2,5-8,11-13,16,21-22,25,27H,1,3-4,9-10,14-15,17-20H2/t25-/m0/s1
InChIKeyZHBJLJCTRONVQU-VWLOTQADSA-N
MW421.59 g/mol
LogP4.61
Rot. Bonds8

About N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide

N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 121413046) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID121413046
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CCNCC1)N(CCOc1ccccc1)[C@H](c1ccccn1)C1CCCCC1
InChIInChI=1S/C26H35N3O2/c30-26(22-14-17-27-18-15-22)29(19-20-31-23-11-5-2-6-12-23)25(21-9-3-1-4-10-21)24-13-7-8-16-28-24/h2,5-8,11-13,16,21-22,25,27H,1,3-4,9-10,14-15,17-20H2/t25-/m0/s1
InChIKeyZHBJLJCTRONVQU-VWLOTQADSA-N
XLogP4.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide (CID 121413046) is N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide is O=C(C1CCNCC1)N(CCOc1ccccc1)[C@H](c1ccccn1)C1CCCCC1.
What is the InChIKey of N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is ZHBJLJCTRONVQU-VWLOTQADSA-N. The full InChI is InChI=1S/C26H35N3O2/c30-26(22-14-17-27-18-15-22)29(19-20-31-23-11-5-2-6-12-23)25(21-9-3-1-4-10-21)24-13-7-8-16-28-24/h2,5-8,11-13,16,21-22,25,27H,1,3-4,9-10,14-15,17-20H2/t25-/m0/s1.
What are the key properties of N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 121413046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).