N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide

C21H30FN3O2 — CID 97152546

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCC(C)N1CCC[C@]2(CCN(CC(=O)NCCc3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C21H30FN3O2/c1-16(2)25-12-3-9-21(20(25)27)10-13-24(15-21)14-19(26)23-11-8-17-4-6-18(22)7-5-17/h4-7,16H,3,8-15H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyZRPMYWKVAKCMTF-OAQYLSRUSA-N
MW375.49 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 97152546) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID97152546
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCC(C)N1CCC[C@]2(CCN(CC(=O)NCCc3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C21H30FN3O2/c1-16(2)25-12-3-9-21(20(25)27)10-13-24(15-21)14-19(26)23-11-8-17-4-6-18(22)7-5-17/h4-7,16H,3,8-15H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyZRPMYWKVAKCMTF-OAQYLSRUSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 97119496
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-(4-fluorophenyl)ethyl]-2-(3-hydroxy-3-phenylpyrrolidin-1-yl)acetamide
CID 50960793
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide
CID 154817071
N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 37192477
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
N-[2-(4-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 91843173
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-oxo-1H-pyridin-4-yl)piperidin-1-yl]acetamide
CID 138384759
N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645484
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide (CID 97152546) is N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide is CC(C)N1CCC[C@]2(CCN(CC(=O)NCCc3ccc(F)cc3)C2)C1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is ZRPMYWKVAKCMTF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-16(2)25-12-3-9-21(20(25)27)10-13-24(15-21)14-19(26)23-11-8-17-4-6-18(22)7-5-17/h4-7,16H,3,8-15H2,1-2H3,(H,23,26)/t21-/m1/s1.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 97152546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).