3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide

C22H34ClN3O — CID 25381201

IUPAC3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H34ClN3O/c1-2-26-13-3-4-21(26)16-24-22(27)10-7-18-11-14-25(15-12-18)17-19-5-8-20(23)9-6-19/h5-6,8-9,18,21H,2-4,7,10-17H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyDRXWBTLUMCLSSF-OAQYLSRUSA-N
MW391.99 g/mol
LogP3.93
Rot. Bonds8

About 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide (PubChem CID 25381201) has the molecular formula C22H34ClN3O and a molecular weight of 391.99 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
PubChem CID25381201
Molecular FormulaC22H34ClN3O
Molecular Weight391.99 g/mol
Exact Mass391.24
IUPAC Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H34ClN3O/c1-2-26-13-3-4-21(26)16-24-22(27)10-7-18-11-14-25(15-12-18)17-19-5-8-20(23)9-6-19/h5-6,8-9,18,21H,2-4,7,10-17H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyDRXWBTLUMCLSSF-OAQYLSRUSA-N
XLogP3.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.99
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide 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

3-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 42526692
3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 45171992
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]propanamide
CID 42117284
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide
CID 25373473
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]propanamide
CID 45219288
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]propanamide
CID 45215619
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]propanamide
CID 26394365
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 72886773
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide
CID 42458687
methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 45252540
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide (CID 25381201) is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide is CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide?
The InChIKey is DRXWBTLUMCLSSF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H34ClN3O/c1-2-26-13-3-4-21(26)16-24-22(27)10-7-18-11-14-25(15-12-18)17-19-5-8-20(23)9-6-19/h5-6,8-9,18,21H,2-4,7,10-17H2,1H3,(H,24,27)/t21-/m1/s1.
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide?
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide has a molecular weight of 391.99 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 25381201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).