1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide

C25H33FN4O2 — CID 140642008

IUPAC1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESO=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C1(CF)CCCCC1
InChIInChI=1S/C25H33FN4O2/c26-20-25(11-5-1-6-12-25)24(32)30(23-10-4-7-13-27-23)19-16-28-14-17-29(18-15-28)21-8-2-3-9-22(21)31/h2-4,7-10,13,31H,1,5-6,11-12,14-20H2
InChIKeyAGPAMPGWOLZHKR-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.86
Rot. Bonds7

About 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide

1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 140642008) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID140642008
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC Name1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESO=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C1(CF)CCCCC1
InChIInChI=1S/C25H33FN4O2/c26-20-25(11-5-1-6-12-25)24(32)30(23-10-4-7-13-27-23)19-16-28-14-17-29(18-15-28)21-8-2-3-9-22(21)31/h2-4,7-10,13,31H,1,5-6,11-12,14-20H2
InChIKeyAGPAMPGWOLZHKR-UHFFFAOYSA-N
XLogP3.86
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 140642008) is 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide is O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C1(CF)CCCCC1.
What is the InChIKey of 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is AGPAMPGWOLZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c26-20-25(11-5-1-6-12-25)24(32)30(23-10-4-7-13-27-23)19-16-28-14-17-29(18-15-28)21-8-2-3-9-22(21)31/h2-4,7-10,13,31H,1,5-6,11-12,14-20H2.
What are the key properties of 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 440.56 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 140642008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).