N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

C26H35FN4O2 — CID 10049632

IUPACN-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCN(c2ccccc2OCCF)CC1)c1ccccn1
InChIInChI=1S/C26H35FN4O2/c27-13-21-33-24-11-5-4-10-23(24)30-18-15-29(16-19-30)17-20-31(25-12-6-7-14-28-25)26(32)22-8-2-1-3-9-22/h4-7,10-12,14,22H,1-3,8-9,13,15-21H2
InChIKeyAHQWOKUFGWQUMW-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.17
Rot. Bonds9

About N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (PubChem CID 10049632) has the molecular formula C26H35FN4O2 and a molecular weight of 454.59 g/mol. Its IUPAC name is N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
PubChem CID10049632
Molecular FormulaC26H35FN4O2
Molecular Weight454.59 g/mol
Exact Mass454.27
IUPAC NameN-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCN(c2ccccc2OCCF)CC1)c1ccccn1
InChIInChI=1S/C26H35FN4O2/c27-13-21-33-24-11-5-4-10-23(24)30-18-15-29(16-19-30)17-20-31(25-12-6-7-14-28-25)26(32)22-8-2-1-3-9-22/h4-7,10-12,14,22H,1-3,8-9,13,15-21H2
InChIKeyAHQWOKUFGWQUMW-UHFFFAOYSA-N
XLogP4.17
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (CID 10049632) is N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2OCCF)CC1)c1ccccn1.
What is the InChIKey of N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The InChIKey is AHQWOKUFGWQUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O2/c27-13-21-33-24-11-5-4-10-23(24)30-18-15-29(16-19-30)17-20-31(25-12-6-7-14-28-25)26(32)22-8-2-1-3-9-22/h4-7,10-12,14,22H,1-3,8-9,13,15-21H2.
What are the key properties of N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide has a molecular weight of 454.59 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 10049632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).