(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

C19H23N3OS — CID 70713179

IUPAC(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(C2CCCN2)s1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C19H23N3OS/c23-19(18-4-3-17(24-18)16-2-1-9-21-16)22-12-7-15(8-13-22)14-5-10-20-11-6-14/h3-6,10-11,15-16,21H,1-2,7-9,12-13H2
InChIKeyHFIYEIQHWAXZSK-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.59
Rot. Bonds3

About (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (PubChem CID 70713179) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
PubChem CID70713179
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(C2CCCN2)s1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C19H23N3OS/c23-19(18-4-3-17(24-18)16-2-1-9-21-16)22-12-7-15(8-13-22)14-5-10-20-11-6-14/h3-6,10-11,15-16,21H,1-2,7-9,12-13H2
InChIKeyHFIYEIQHWAXZSK-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45204442
N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 45223177
[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70757931
(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45179140
(2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698178
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72842150
(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 136536266
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
(4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone
CID 95833568
(5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 167199447
N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The IUPAC name of (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (CID 70713179) is (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is O=C(c1ccc(C2CCCN2)s1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The InChIKey is HFIYEIQHWAXZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-19(18-4-3-17(24-18)16-2-1-9-21-16)22-12-7-15(8-13-22)14-5-10-20-11-6-14/h3-6,10-11,15-16,21H,1-2,7-9,12-13H2.
What are the key properties of (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone has a molecular weight of 341.48 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 70713179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).