(5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C17H24F4N2O3 — CID 97157021

IUPAC(5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(COCC(F)(F)C(F)F)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C17H24F4N2O3/c18-14(19)17(20,21)11-26-9-13(24)23-7-5-16(10-23)4-1-6-22(15(16)25)8-12-2-3-12/h12,14H,1-11H2/t16-/m1/s1
InChIKeySQFZZMDNZFPEAX-MRXNPFEDSA-N
MW380.38 g/mol
LogP2.15
Rot. Bonds7

About (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97157021) has the molecular formula C17H24F4N2O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97157021
Molecular FormulaC17H24F4N2O3
Molecular Weight380.38 g/mol
Exact Mass380.17
IUPAC Name(5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(COCC(F)(F)C(F)F)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C17H24F4N2O3/c18-14(19)17(20,21)11-26-9-13(24)23-7-5-16(10-23)4-1-6-22(15(16)25)8-12-2-3-12/h12,14H,1-11H2/t16-/m1/s1
InChIKeySQFZZMDNZFPEAX-MRXNPFEDSA-N
XLogP2.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5R)-7-(cyclopropylmethyl)-2-[2-(2-methylphenoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97127379
ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate
CID 25278147
N-[2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 26405192
1-[2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 97150845
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97120619
(6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96579108
7-(cyclobutylmethyl)-2-[2-[2-methoxyethyl(methyl)amino]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72939680
2-[2-(3-chlorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938057
(5R)-7-(cyclopropylmethyl)-2-[3-(2-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97131680

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97157021) is (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(COCC(F)(F)C(F)F)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SQFZZMDNZFPEAX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24F4N2O3/c18-14(19)17(20,21)11-26-9-13(24)23-7-5-16(10-23)4-1-6-22(15(16)25)8-12-2-3-12/h12,14H,1-11H2/t16-/m1/s1.
What are the key properties of (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 380.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97157021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).