N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide

C18H24N4O3 — CID 95603452

IUPACN-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2Cn2cc(C)cn2)o1
InChIInChI=1S/C18H24N4O3/c1-13-9-20-21(11-13)12-15-5-3-4-8-22(15)18(24)17-7-6-16(25-17)10-19-14(2)23/h6-7,9,11,15H,3-5,8,10,12H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyDEXJAEAOKJHGSY-OAHLLOKOSA-N
MW344.42 g/mol
LogP2.12
Rot. Bonds5

About N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide

N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide (PubChem CID 95603452) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide
PubChem CID95603452
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2Cn2cc(C)cn2)o1
InChIInChI=1S/C18H24N4O3/c1-13-9-20-21(11-13)12-15-5-3-4-8-22(15)18(24)17-7-6-16(25-17)10-19-14(2)23/h6-7,9,11,15H,3-5,8,10,12H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyDEXJAEAOKJHGSY-OAHLLOKOSA-N
XLogP2.12
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide (CID 95603452) is N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2Cn2cc(C)cn2)o1.
What is the InChIKey of N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide?
The InChIKey is DEXJAEAOKJHGSY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-9-20-21(11-13)12-15-5-3-4-8-22(15)18(24)17-7-6-16(25-17)10-19-14(2)23/h6-7,9,11,15H,3-5,8,10,12H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide?
N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 95603452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).