[3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone

C23H24ClN3OS — CID 134273266

IUPAC[3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCN(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cs2)ccn1
InChIInChI=1S/C23H24ClN3OS/c1-26(2)22-14-16(8-9-25-22)21-13-18(15-29-21)19-7-6-17(12-20(19)24)23(28)27-10-4-3-5-11-27/h6-9,12-15H,3-5,10-11H2,1-2H3
InChIKeyCIKXMOCOROSWSW-UHFFFAOYSA-N
MW425.99 g/mol
LogP5.82
Rot. Bonds4

About [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone

[3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 134273266) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID134273266
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC Name[3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCN(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cs2)ccn1
InChIInChI=1S/C23H24ClN3OS/c1-26(2)22-14-16(8-9-25-22)21-13-18(15-29-21)19-7-6-17(12-20(19)24)23(28)27-10-4-3-5-11-27/h6-9,12-15H,3-5,10-11H2,1-2H3
InChIKeyCIKXMOCOROSWSW-UHFFFAOYSA-N
XLogP5.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.99
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone
CID 134273167
[4-[5-[2-[butyl(propyl)amino]pyrimidin-4-yl]thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
CID 134273246
[4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
CID 134273296
[(3R)-3-aminopiperidin-1-yl]-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone
CID 140844470
[3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
CID 134273313
[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 134273160
1-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-3-cyclopropylurea
CID 134277224
[4-[5-[6-amino-2-(2-methylpropyl)pyrimidin-4-yl]thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
CID 134273240
tert-butyl N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]carbamate
CID 134273165
[(3S)-3-aminopiperidin-1-yl]-[4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]methanone
CID 140844454
[3-chloro-4-[5-[2-(3-methylbutyl)pyrazol-3-yl]thiophen-3-yl]phenyl]-morpholin-4-ylmethanone
CID 134273225
tert-butyl 3-[[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]amino]piperidine-1-carboxylate
CID 134273204

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone (CID 134273266) is [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone is CN(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cs2)ccn1.
What is the InChIKey of [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is CIKXMOCOROSWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3OS/c1-26(2)22-14-16(8-9-25-22)21-13-18(15-29-21)19-7-6-17(12-20(19)24)23(28)27-10-4-3-5-11-27/h6-9,12-15H,3-5,10-11H2,1-2H3.
What are the key properties of [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone?
[3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 425.99 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134273266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).