(5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C21H26N2OS — CID 164637032

IUPAC(5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)s1)N1CC[C@H](CN2CCCCC2)C1
InChIInChI=1S/C21H26N2OS/c24-21(20-10-9-19(25-20)18-7-3-1-4-8-18)23-14-11-17(16-23)15-22-12-5-2-6-13-22/h1,3-4,7-10,17H,2,5-6,11-16H2/t17-/m1/s1
InChIKeyOMDSGUZLVSAFAF-QGZVFWFLSA-N
MW354.52 g/mol
LogP4.36
Rot. Bonds4

About (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

(5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 164637032) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID164637032
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name(5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)s1)N1CC[C@H](CN2CCCCC2)C1
InChIInChI=1S/C21H26N2OS/c24-21(20-10-9-19(25-20)18-7-3-1-4-8-18)23-14-11-17(16-23)15-22-12-5-2-6-13-22/h1,3-4,7-10,17H,2,5-6,11-16H2/t17-/m1/s1
InChIKeyOMDSGUZLVSAFAF-QGZVFWFLSA-N
XLogP4.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776103
1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone
CID 90861887
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
CID 119485306
1-[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355332
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
(2-aminophenyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119947355
[5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11327352
5-[(3R)-3-benzylpyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124701503
(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
CID 119377231
2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119892520
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
phenyl-[(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 100748063

Frequently Asked Questions

What is the IUPAC name of (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 164637032) is (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)s1)N1CC[C@H](CN2CCCCC2)C1.
What is the InChIKey of (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OMDSGUZLVSAFAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2OS/c24-21(20-10-9-19(25-20)18-7-3-1-4-8-18)23-14-11-17(16-23)15-22-12-5-2-6-13-22/h1,3-4,7-10,17H,2,5-6,11-16H2/t17-/m1/s1.
What are the key properties of (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
(5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 354.52 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164637032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).