(3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride

C20H28ClN3OS — CID 156759424

IUPAC(3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride
SMILESCN(C)[C@H](CCNC(=O)N1CC[C@H](c2ccccc2)C1)c1ccsc1.Cl
InChIInChI=1S/C20H27N3OS.ClH/c1-22(2)19(18-10-13-25-15-18)8-11-21-20(24)23-12-9-17(14-23)16-6-4-3-5-7-16;/h3-7,10,13,15,17,19H,8-9,11-12,14H2,1-2H3,(H,21,24);1H/t17-,19+;/m0./s1
InChIKeyFBUOTZLMSKEINW-JUOYHRLASA-N
MW393.98 g/mol
LogP4.36
Rot. Bonds6

About (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride

(3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride (PubChem CID 156759424) has the molecular formula C20H28ClN3OS and a molecular weight of 393.98 g/mol. Its IUPAC name is (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride
PubChem CID156759424
Molecular FormulaC20H28ClN3OS
Molecular Weight393.98 g/mol
Exact Mass393.16
IUPAC Name(3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride
SMILESCN(C)[C@H](CCNC(=O)N1CC[C@H](c2ccccc2)C1)c1ccsc1.Cl
InChIInChI=1S/C20H27N3OS.ClH/c1-22(2)19(18-10-13-25-15-18)8-11-21-20(24)23-12-9-17(14-23)16-6-4-3-5-7-16;/h3-7,10,13,15,17,19H,8-9,11-12,14H2,1-2H3,(H,21,24);1H/t17-,19+;/m0./s1
InChIKeyFBUOTZLMSKEINW-JUOYHRLASA-N
XLogP4.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.98
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide
CID 134307354
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride
CID 134307213
2-[(3S)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide
CID 155620854
propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
CID 86870723
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723708
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602
2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 66166344
3-methyl-4-[(3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 81066848
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 95342259

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride (CID 156759424) is (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride is CN(C)[C@H](CCNC(=O)N1CC[C@H](c2ccccc2)C1)c1ccsc1.Cl.
What is the InChIKey of (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride?
The InChIKey is FBUOTZLMSKEINW-JUOYHRLASA-N. The full InChI is InChI=1S/C20H27N3OS.ClH/c1-22(2)19(18-10-13-25-15-18)8-11-21-20(24)23-12-9-17(14-23)16-6-4-3-5-7-16;/h3-7,10,13,15,17,19H,8-9,11-12,14H2,1-2H3,(H,21,24);1H/t17-,19+;/m0./s1.
What are the key properties of (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride?
(3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 393.98 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 156759424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).