8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one

C31H45FN4O2 — CID 46235310

IUPAC8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCCCC5)CC4)C3=O)c(F)c2)CC1
InChIInChI=1S/C31H45FN4O2/c1-23-6-5-16-35(23)25-11-17-33(18-12-25)26-9-10-28(27(32)22-26)36-21-15-31(30(36)38)13-19-34(20-14-31)29(37)24-7-3-2-4-8-24/h9-10,22-25H,2-8,11-21H2,1H3/t23-/m0/s1
InChIKeyZWZSOHBMOTYKFF-QHCPKHFHSA-N
MW524.73 g/mol
LogP5.20
Rot. Bonds4

About 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one

8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 46235310) has the molecular formula C31H45FN4O2 and a molecular weight of 524.73 g/mol. Its IUPAC name is 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID46235310
Molecular FormulaC31H45FN4O2
Molecular Weight524.73 g/mol
Exact Mass524.35
IUPAC Name8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCCCC5)CC4)C3=O)c(F)c2)CC1
InChIInChI=1S/C31H45FN4O2/c1-23-6-5-16-35(23)25-11-17-33(18-12-25)26-9-10-28(27(32)22-26)36-21-15-31(30(36)38)13-19-34(20-14-31)29(37)24-7-3-2-4-8-24/h9-10,22-25H,2-8,11-21H2,1H3/t23-/m0/s1
InChIKeyZWZSOHBMOTYKFF-QHCPKHFHSA-N
XLogP5.20
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.73
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 46235310) is 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one is C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCCCC5)CC4)C3=O)c(F)c2)CC1.
What is the InChIKey of 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ZWZSOHBMOTYKFF-QHCPKHFHSA-N. The full InChI is InChI=1S/C31H45FN4O2/c1-23-6-5-16-35(23)25-11-17-33(18-12-25)26-9-10-28(27(32)22-26)36-21-15-31(30(36)38)13-19-34(20-14-31)29(37)24-7-3-2-4-8-24/h9-10,22-25H,2-8,11-21H2,1H3/t23-/m0/s1.
What are the key properties of 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 524.73 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexanecarbonyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 46235310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).