1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

C18H21FN4O — CID 97313014

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESC[C@H](c1ccc(F)cc1)N1CCC(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C18H21FN4O/c1-13(14-3-5-16(19)6-4-14)23-11-7-15(8-12-23)17(24)22-18-20-9-2-10-21-18/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,20,21,22,24)/t13-/m1/s1
InChIKeyYLJSJOBDCGISPF-CYBMUJFWSA-N
MW328.39 g/mol
LogP3.03
Rot. Bonds4

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 97313014) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID97313014
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESC[C@H](c1ccc(F)cc1)N1CCC(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C18H21FN4O/c1-13(14-3-5-16(19)6-4-14)23-11-7-15(8-12-23)17(24)22-18-20-9-2-10-21-18/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,20,21,22,24)/t13-/m1/s1
InChIKeyYLJSJOBDCGISPF-CYBMUJFWSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 60503970
N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide
CID 126839220
1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47068763
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
1-[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 26674864
propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 133469687
N-(1,3-benzodioxol-5-yl)-1-[1-(3,5-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 167799507
(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808213
1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 126793193

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 97313014) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is C[C@H](c1ccc(F)cc1)N1CCC(C(=O)Nc2ncccn2)CC1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is YLJSJOBDCGISPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-13(14-3-5-16(19)6-4-14)23-11-7-15(8-12-23)17(24)22-18-20-9-2-10-21-18/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,20,21,22,24)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 97313014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).