(4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one

C23H33FN4O3 — CID 146065808

IUPAC(4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)CN1CCN(C(=O)[C@H]2CN(Cc3ccc(F)cc3)C[C@@]23OCCNC3=O)CC1
InChIInChI=1S/C23H33FN4O3/c1-17(2)13-26-8-10-28(11-9-26)21(29)20-15-27(14-18-3-5-19(24)6-4-18)16-23(20)22(30)25-7-12-31-23/h3-6,17,20H,7-16H2,1-2H3,(H,25,30)/t20-,23-/m1/s1
InChIKeyGSYVLIBLOWFZCY-NFBKMPQASA-N
MW432.54 g/mol
LogP0.94
Rot. Bonds5

About (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one

(4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one (PubChem CID 146065808) has the molecular formula C23H33FN4O3 and a molecular weight of 432.54 g/mol. Its IUPAC name is (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one
PubChem CID146065808
Molecular FormulaC23H33FN4O3
Molecular Weight432.54 g/mol
Exact Mass432.25
IUPAC Name(4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)CN1CCN(C(=O)[C@H]2CN(Cc3ccc(F)cc3)C[C@@]23OCCNC3=O)CC1
InChIInChI=1S/C23H33FN4O3/c1-17(2)13-26-8-10-28(11-9-26)21(29)20-15-27(14-18-3-5-19(24)6-4-18)16-23(20)22(30)25-7-12-31-23/h3-6,17,20H,7-16H2,1-2H3,(H,25,30)/t20-,23-/m1/s1
InChIKeyGSYVLIBLOWFZCY-NFBKMPQASA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one (CID 146065808) is (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one is CC(C)CN1CCN(C(=O)[C@H]2CN(Cc3ccc(F)cc3)C[C@@]23OCCNC3=O)CC1.
What is the InChIKey of (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The InChIKey is GSYVLIBLOWFZCY-NFBKMPQASA-N. The full InChI is InChI=1S/C23H33FN4O3/c1-17(2)13-26-8-10-28(11-9-26)21(29)20-15-27(14-18-3-5-19(24)6-4-18)16-23(20)22(30)25-7-12-31-23/h3-6,17,20H,7-16H2,1-2H3,(H,25,30)/t20-,23-/m1/s1.
What are the key properties of (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
(4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one has a molecular weight of 432.54 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-[(4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 146065808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).