(3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C18H26N2O2 — CID 110160650

IUPAC(3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC(C)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O
InChIInChI=1S/C18H26N2O2/c1-13(2)20-10-8-18(9-11-20)12-15(21)16(19-17(18)22)14-6-4-3-5-7-14/h3-7,13,15-16,21H,8-12H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeySOXZQCCMQFERHZ-CVEARBPZSA-N
MW302.42 g/mol
LogP2.10
Rot. Bonds2

About (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one

(3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 110160650) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID110160650
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC(C)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O
InChIInChI=1S/C18H26N2O2/c1-13(2)20-10-8-18(9-11-20)12-15(21)16(19-17(18)22)14-6-4-3-5-7-14/h3-7,13,15-16,21H,8-12H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeySOXZQCCMQFERHZ-CVEARBPZSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 110160650) is (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one is CC(C)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O.
What is the InChIKey of (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is SOXZQCCMQFERHZ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)20-10-8-18(9-11-20)12-15(21)16(19-17(18)22)14-6-4-3-5-7-14/h3-7,13,15-16,21H,8-12H2,1-2H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
(3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxy-3-phenyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 110160650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).