N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide

C20H31N3O2 — CID 56774232

IUPACN-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide
SMILESCC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1NC(=O)C1CC1
InChIInChI=1S/C20H31N3O2/c1-20(2)15(11-18(20)21-19(24)14-6-7-14)10-16-12-17(25-22-16)13-23-8-4-3-5-9-23/h12,14-15,18H,3-11,13H2,1-2H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyZSLWGMJSHSGHIQ-QAPCUYQASA-N
MW345.49 g/mol
LogP3.14
Rot. Bonds6

About N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide

N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide (PubChem CID 56774232) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide
PubChem CID56774232
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide
SMILESCC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1NC(=O)C1CC1
InChIInChI=1S/C20H31N3O2/c1-20(2)15(11-18(20)21-19(24)14-6-7-14)10-16-12-17(25-22-16)13-23-8-4-3-5-9-23/h12,14-15,18H,3-11,13H2,1-2H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyZSLWGMJSHSGHIQ-QAPCUYQASA-N
XLogP3.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide (CID 56774232) is N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide is CC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1NC(=O)C1CC1.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide?
The InChIKey is ZSLWGMJSHSGHIQ-QAPCUYQASA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2)15(11-18(20)21-19(24)14-6-7-14)10-16-12-17(25-22-16)13-23-8-4-3-5-9-23/h12,14-15,18H,3-11,13H2,1-2H3,(H,21,24)/t15-,18+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide?
N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 56774232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).