2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

C20H30N2O2 — CID 126432653

IUPAC2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C20H30N2O2/c1-24-15-19(23)22-14-11-20(17-22)10-6-13-21(16-20)12-5-9-18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-17H2,1H3/t20-/m1/s1
InChIKeyBCNIAPHKKMBJFA-HXUWFJFHSA-N
MW330.47 g/mol
LogP2.58
Rot. Bonds6

About 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 126432653) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID126432653
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C20H30N2O2/c1-24-15-19(23)22-14-11-20(17-22)10-6-13-21(16-20)12-5-9-18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-17H2,1H3/t20-/m1/s1
InChIKeyBCNIAPHKKMBJFA-HXUWFJFHSA-N
XLogP2.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (CID 126432653) is 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is COCC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1.
What is the InChIKey of 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is BCNIAPHKKMBJFA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-24-15-19(23)22-14-11-20(17-22)10-6-13-21(16-20)12-5-9-18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-17H2,1H3/t20-/m1/s1.
What are the key properties of 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 330.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 126432653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).