1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide

C18H25N5O2 — CID 56706561

IUPAC1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCCN(Cc3cccc4nonc34)C2)CCC1
InChIInChI=1S/C18H25N5O2/c19-18(7-3-8-18)17(24)20-10-13-4-2-9-23(11-13)12-14-5-1-6-15-16(14)22-25-21-15/h1,5-6,13H,2-4,7-12,19H2,(H,20,24)
InChIKeyRYBQQGHJPMOMPN-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.43
Rot. Bonds5

About 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide

1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 56706561) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide
PubChem CID56706561
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCCN(Cc3cccc4nonc34)C2)CCC1
InChIInChI=1S/C18H25N5O2/c19-18(7-3-8-18)17(24)20-10-13-4-2-9-23(11-13)12-14-5-1-6-15-16(14)22-25-21-15/h1,5-6,13H,2-4,7-12,19H2,(H,20,24)
InChIKeyRYBQQGHJPMOMPN-UHFFFAOYSA-N
XLogP1.43
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide (CID 56706561) is 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide is NC1(C(=O)NCC2CCCN(Cc3cccc4nonc34)C2)CCC1.
What is the InChIKey of 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is RYBQQGHJPMOMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c19-18(7-3-8-18)17(24)20-10-13-4-2-9-23(11-13)12-14-5-1-6-15-16(14)22-25-21-15/h1,5-6,13H,2-4,7-12,19H2,(H,20,24).
What are the key properties of 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide?
1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 56706561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).