7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride

C14H26ClN3O — CID 119932073

IUPAC7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.O=C1CC2(CCCN(CC3CCNCC3)C2)CN1
InChIInChI=1S/C14H25N3O.ClH/c18-13-8-14(10-16-13)4-1-7-17(11-14)9-12-2-5-15-6-3-12;/h12,15H,1-11H2,(H,16,18);1H
InChIKeyIBUZJDCEZUJZBX-UHFFFAOYSA-N
MW287.84 g/mol
LogP1.01
Rot. Bonds2

About 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride

7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 119932073) has the molecular formula C14H26ClN3O and a molecular weight of 287.84 g/mol. Its IUPAC name is 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
PubChem CID119932073
Molecular FormulaC14H26ClN3O
Molecular Weight287.84 g/mol
Exact Mass287.18
IUPAC Name7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.O=C1CC2(CCCN(CC3CCNCC3)C2)CN1
InChIInChI=1S/C14H25N3O.ClH/c18-13-8-14(10-16-13)4-1-7-17(11-14)9-12-2-5-15-6-3-12;/h12,15H,1-11H2,(H,16,18);1H
InChIKeyIBUZJDCEZUJZBX-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.84
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride?
The IUPAC name of 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride (CID 119932073) is 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride is Cl.O=C1CC2(CCCN(CC3CCNCC3)C2)CN1.
What is the InChIKey of 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is IBUZJDCEZUJZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.ClH/c18-13-8-14(10-16-13)4-1-7-17(11-14)9-12-2-5-15-6-3-12;/h12,15H,1-11H2,(H,16,18);1H.
What are the key properties of 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride?
7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 287.84 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 119932073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).