(2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide

C26H33Cl2N3O — CID 25001412

IUPAC(2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
InChIKeyUWHDLFOAIARROU-XMMPIXPASA-N
MW474.48 g/mol
LogP5.34
Rot. Bonds8

About (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide

(2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide (PubChem CID 25001412) has the molecular formula C26H33Cl2N3O and a molecular weight of 474.48 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
PubChem CID25001412
Molecular FormulaC26H33Cl2N3O
Molecular Weight474.48 g/mol
Exact Mass473.20
IUPAC Name(2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
InChIKeyUWHDLFOAIARROU-XMMPIXPASA-N
XLogP5.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide
CID 448675
m-Chlorobenzylamide, 2
CID 44237081
(2r)-2-Amino-3-(2,4-Dichlorophenyl)-1-(1,3-Dihydro-2h-Isoindol-2-Yl)propan-1-One
CID 53357987
(S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-amino)-acetyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
CID 10744643
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
m-Chlorobenzylamide, 7
CID 44237086
D-Phenylalanyl-N-(2,5-Dichlorobenzyl)-L-Prolinamide
CID 71449446
N-[(1S)-1-[2-[1-[(3R,4S)-1-tert-butyl-4-(2,4-dichlorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 16725559
(S)-1-[(S)-3-Cyclohexyl-3-(diethylcarbamoylmethyl-amino)-propionyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
CID 44326592
(2S,3R)-N'-[(3S)-1-[[3-(2,4-dichlorophenyl)phenyl]methyl]-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-propylbutanediamide
CID 9915826

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide (CID 25001412) is (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide is O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide?
The InChIKey is UWHDLFOAIARROU-XMMPIXPASA-N. The full InChI is InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide?
(2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25001412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).