(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide

C19H21FN4O2 — CID 1031755

IUPAC(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C19H21FN4O2/c1-13-9-22-17(11-21-13)19(26)24-8-2-3-15(12-24)18(25)23-10-14-4-6-16(20)7-5-14/h4-7,9,11,15H,2-3,8,10,12H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyRPUUDNWZFXXJNB-OAHLLOKOSA-N
MW356.40 g/mol
LogP2.09
Rot. Bonds4

About (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide

(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 1031755) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
PubChem CID1031755
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C19H21FN4O2/c1-13-9-22-17(11-21-13)19(26)24-8-2-3-15(12-24)18(25)23-10-14-4-6-16(20)7-5-14/h4-7,9,11,15H,2-3,8,10,12H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyRPUUDNWZFXXJNB-OAHLLOKOSA-N
XLogP2.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44440709

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide (CID 1031755) is (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide is Cc1cnc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cn1.
What is the InChIKey of (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is RPUUDNWZFXXJNB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-13-9-22-17(11-21-13)19(26)24-8-2-3-15(12-24)18(25)23-10-14-4-6-16(20)7-5-14/h4-7,9,11,15H,2-3,8,10,12H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 1031755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).