N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

C20H26FN5O2 — CID 56755193

IUPACN-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESCC(C)[C@@H](N)C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H26FN5O2/c1-13(2)18(22)20(28)25-10-7-16(8-11-25)26-17(6-9-23-26)24-19(27)14-4-3-5-15(21)12-14/h3-6,9,12-13,16,18H,7-8,10-11,22H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyIDICVGHHQLWKIG-GOSISDBHSA-N
MW387.46 g/mol
LogP2.42
Rot. Bonds5

About N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 56755193) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
PubChem CID56755193
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC NameN-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESCC(C)[C@@H](N)C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H26FN5O2/c1-13(2)18(22)20(28)25-10-7-16(8-11-25)26-17(6-9-23-26)24-19(27)14-4-3-5-15(21)12-14/h3-6,9,12-13,16,18H,7-8,10-11,22H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyIDICVGHHQLWKIG-GOSISDBHSA-N
XLogP2.42
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (CID 56755193) is N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is CC(C)[C@@H](N)C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is IDICVGHHQLWKIG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-13(2)18(22)20(28)25-10-7-16(8-11-25)26-17(6-9-23-26)24-19(27)14-4-3-5-15(21)12-14/h3-6,9,12-13,16,18H,7-8,10-11,22H2,1-2H3,(H,24,27)/t18-/m1/s1.
What are the key properties of N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 387.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 56755193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).