2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one

C29H36ClN3O2 — CID 67367818

IUPAC2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCCC(=O)N1C[C@H](CN2CCC3(CC2)CCN(Cc2ccc(Cl)cc2)C3=O)[C@@H](c2ccccc2)C1
InChIInChI=1S/C29H36ClN3O2/c1-2-27(34)33-20-24(26(21-33)23-6-4-3-5-7-23)19-31-15-12-29(13-16-31)14-17-32(28(29)35)18-22-8-10-25(30)11-9-22/h3-11,24,26H,2,12-21H2,1H3/t24-,26+/m0/s1
InChIKeyAFUPZQYDAPKLIF-AZGAKELHSA-N
MW494.08 g/mol
LogP4.81
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one

2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 67367818) has the molecular formula C29H36ClN3O2 and a molecular weight of 494.08 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID67367818
Molecular FormulaC29H36ClN3O2
Molecular Weight494.08 g/mol
Exact Mass493.25
IUPAC Name2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCCC(=O)N1C[C@H](CN2CCC3(CC2)CCN(Cc2ccc(Cl)cc2)C3=O)[C@@H](c2ccccc2)C1
InChIInChI=1S/C29H36ClN3O2/c1-2-27(34)33-20-24(26(21-33)23-6-4-3-5-7-23)19-31-15-12-29(13-16-31)14-17-32(28(29)35)18-22-8-10-25(30)11-9-22/h3-11,24,26H,2,12-21H2,1H3/t24-,26+/m0/s1
InChIKeyAFUPZQYDAPKLIF-AZGAKELHSA-N
XLogP4.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.08
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-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

Related Compounds

2-[(4-bromophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 67370429
2-[(4-chlorophenyl)methyl]-8-[[(3S)-1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 58981984
4-[[1-oxo-8-[[(3S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile
CID 58982024
2-[[4-[(4-bromophenyl)methyl]phenyl]methyl]-8-[[(3S,4S)-1-(4-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11262602
2-[(4-bromophenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropanoyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 58981962
8-[[(3S,4S)-1-(cyclopropanecarbonyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11167989
2-[(4-bromophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 162310121
8-[[1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 67368685
8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 67369627
2-[(4-bromophenyl)methyl]-8-[[(3S,4S)-1-(cyclopropanecarbonyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 67368291
8-[[1-(cyclopropanecarbonyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 67370413
8-[[1-(cyclopropanecarbonyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 67367908

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 67367818) is 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one is CCC(=O)N1C[C@H](CN2CCC3(CC2)CCN(Cc2ccc(Cl)cc2)C3=O)[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is AFUPZQYDAPKLIF-AZGAKELHSA-N. The full InChI is InChI=1S/C29H36ClN3O2/c1-2-27(34)33-20-24(26(21-33)23-6-4-3-5-7-23)19-31-15-12-29(13-16-31)14-17-32(28(29)35)18-22-8-10-25(30)11-9-22/h3-11,24,26H,2,12-21H2,1H3/t24-,26+/m0/s1.
What are the key properties of 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 494.08 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-propanoylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 67367818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).