2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride

C18H23ClFN5O2 — CID 174309509

IUPAC2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccnc(N(CCOc2ccc(F)cc2)C2CCNCC2)n1
InChIInChI=1S/C18H22FN5O2.ClH/c19-13-1-3-15(4-2-13)26-12-11-24(14-5-8-21-9-6-14)18-22-10-7-16(23-18)17(20)25;/h1-4,7,10,14,21H,5-6,8-9,11-12H2,(H2,20,25);1H
InChIKeyQILURORUXKHAOL-UHFFFAOYSA-N
MW395.87 g/mol
LogP1.77
Rot. Bonds7

About 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride

2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride (PubChem CID 174309509) has the molecular formula C18H23ClFN5O2 and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride
PubChem CID174309509
Molecular FormulaC18H23ClFN5O2
Molecular Weight395.87 g/mol
Exact Mass395.15
IUPAC Name2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccnc(N(CCOc2ccc(F)cc2)C2CCNCC2)n1
InChIInChI=1S/C18H22FN5O2.ClH/c19-13-1-3-15(4-2-13)26-12-11-24(14-5-8-21-9-6-14)18-22-10-7-16(23-18)17(20)25;/h1-4,7,10,14,21H,5-6,8-9,11-12H2,(H2,20,25);1H
InChIKeyQILURORUXKHAOL-UHFFFAOYSA-N
XLogP1.77
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932771
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 119321222
5-[2-(dimethylamino)ethoxy]-6-piperidin-4-ylpyridine-2-carboxamide;hydrochloride
CID 121409085
methyl 2-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrimidine-4-carboxylate
CID 69152755
butyl 2-[[4-(azepan-1-yl)pyrimidin-2-yl]-piperidin-4-ylamino]acetate
CID 66903993
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
CID 43607235
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
methyl 2-[(3-ethoxy-4-methylphenyl)methyl-piperidin-4-ylamino]pyrimidine-4-carboxylate
CID 69152008
4-(4-fluorophenoxy)butanamide
CID 43244704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride (CID 174309509) is 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride is Cl.NC(=O)c1ccnc(N(CCOc2ccc(F)cc2)C2CCNCC2)n1.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride?
The InChIKey is QILURORUXKHAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2.ClH/c19-13-1-3-15(4-2-13)26-12-11-24(14-5-8-21-9-6-14)18-22-10-7-16(23-18)17(20)25;/h1-4,7,10,14,21H,5-6,8-9,11-12H2,(H2,20,25);1H.
What are the key properties of 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride?
2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride has a molecular weight of 395.87 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 174309509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).