(4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one

C19H35N3O — CID 70306842

IUPAC(4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one
SMILESC[C@@H]1CCCCCN(C2CCN(C3CCNCC3)CC2)C(=O)C1
InChIInChI=1S/C19H35N3O/c1-16-5-3-2-4-12-22(19(23)15-16)18-8-13-21(14-9-18)17-6-10-20-11-7-17/h16-18,20H,2-15H2,1H3/t16-/m1/s1
InChIKeyGQWGTXWPFVIXIQ-MRXNPFEDSA-N
MW321.51 g/mol
LogP2.63
Rot. Bonds2

About (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one

(4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one (PubChem CID 70306842) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one
PubChem CID70306842
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name(4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one
SMILESC[C@@H]1CCCCCN(C2CCN(C3CCNCC3)CC2)C(=O)C1
InChIInChI=1S/C19H35N3O/c1-16-5-3-2-4-12-22(19(23)15-16)18-8-13-21(14-9-18)17-6-10-20-11-7-17/h16-18,20H,2-15H2,1H3/t16-/m1/s1
InChIKeyGQWGTXWPFVIXIQ-MRXNPFEDSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one?
The IUPAC name of (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one (CID 70306842) is (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one.
What is the SMILES notation for (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one?
The canonical SMILES for (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one is C[C@@H]1CCCCCN(C2CCN(C3CCNCC3)CC2)C(=O)C1.
What is the InChIKey of (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one?
The InChIKey is GQWGTXWPFVIXIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H35N3O/c1-16-5-3-2-4-12-22(19(23)15-16)18-8-13-21(14-9-18)17-6-10-20-11-7-17/h16-18,20H,2-15H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one?
(4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one has a molecular weight of 321.51 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1-(1-piperidin-4-ylpiperidin-4-yl)azonan-2-one is sourced from PubChem (CID 70306842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).