N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide

C20H27ClF3N3O2 — CID 143229643

IUPACN-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
SMILESO=CN(CCC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCC(O)CC1
InChIInChI=1S/C20H27ClF3N3O2/c21-18-10-15(20(22,23)24)11-25-19(18)26-8-1-2-14(12-26)7-9-27(13-28)16-3-5-17(29)6-4-16/h10-11,13-14,16-17,29H,1-9,12H2
InChIKeyGZLLYOMVGPMPBO-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.12
Rot. Bonds6

About N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide

N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide (PubChem CID 143229643) has the molecular formula C20H27ClF3N3O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide.

Molecular Properties

Compound NameN-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
PubChem CID143229643
Molecular FormulaC20H27ClF3N3O2
Molecular Weight433.90 g/mol
Exact Mass433.17
IUPAC NameN-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
SMILESO=CN(CCC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCC(O)CC1
InChIInChI=1S/C20H27ClF3N3O2/c21-18-10-15(20(22,23)24)11-25-19(18)26-8-1-2-14(12-26)7-9-27(13-28)16-3-5-17(29)6-4-16/h10-11,13-14,16-17,29H,1-9,12H2
InChIKeyGZLLYOMVGPMPBO-UHFFFAOYSA-N
XLogP4.12
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide?
The IUPAC name of N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide (CID 143229643) is N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide.
What is the SMILES notation for N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide?
The canonical SMILES for N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide is O=CN(CCC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCC(O)CC1.
What is the InChIKey of N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide?
The InChIKey is GZLLYOMVGPMPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClF3N3O2/c21-18-10-15(20(22,23)24)11-25-19(18)26-8-1-2-14(12-26)7-9-27(13-28)16-3-5-17(29)6-4-16/h10-11,13-14,16-17,29H,1-9,12H2.
What are the key properties of N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide?
N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide has a molecular weight of 433.90 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide is sourced from PubChem (CID 143229643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).