N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide

C23H29FN4O — CID 53010300

IUPACN-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)C1CCCCC1
InChIInChI=1S/C23H29FN4O/c1-27(21-10-3-2-4-11-21)22(29)18-8-6-12-28(16-18)23-25-14-19(15-26-23)17-7-5-9-20(24)13-17/h5,7,9,13-15,18,21H,2-4,6,8,10-12,16H2,1H3
InChIKeyLTWCIQFFQBMQHC-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.29
Rot. Bonds4

About N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide

N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 53010300) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
PubChem CID53010300
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC NameN-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)C1CCCCC1
InChIInChI=1S/C23H29FN4O/c1-27(21-10-3-2-4-11-21)22(29)18-8-6-12-28(16-18)23-25-14-19(15-26-23)17-7-5-9-20(24)13-17/h5,7,9,13-15,18,21H,2-4,6,8,10-12,16H2,1H3
InChIKeyLTWCIQFFQBMQHC-UHFFFAOYSA-N
XLogP4.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide (CID 53010300) is N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is LTWCIQFFQBMQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-27(21-10-3-2-4-11-21)22(29)18-8-6-12-28(16-18)23-25-14-19(15-26-23)17-7-5-9-20(24)13-17/h5,7,9,13-15,18,21H,2-4,6,8,10-12,16H2,1H3.
What are the key properties of N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide?
N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 53010300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).