(5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C18H21ClFN3OS — CID 42605992

IUPAC(5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)s3)CC2)nc1
InChIInChI=1S/C18H21ClFN3OS/c1-13-2-3-14(22-10-13)11-21-12-18(20)6-8-23(9-7-18)17(24)15-4-5-16(19)25-15/h2-5,10,21H,6-9,11-12H2,1H3
InChIKeyDLTUMAZKHXVMLI-UHFFFAOYSA-N
MW381.90 g/mol
LogP3.84
Rot. Bonds5

About (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 42605992) has the molecular formula C18H21ClFN3OS and a molecular weight of 381.90 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID42605992
Molecular FormulaC18H21ClFN3OS
Molecular Weight381.90 g/mol
Exact Mass381.11
IUPAC Name(5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)s3)CC2)nc1
InChIInChI=1S/C18H21ClFN3OS/c1-13-2-3-14(22-10-13)11-21-12-18(20)6-8-23(9-7-18)17(24)15-4-5-16(19)25-15/h2-5,10,21H,6-9,11-12H2,1H3
InChIKeyDLTUMAZKHXVMLI-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

Gsk2830371
CID 70983932
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10743303
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 62706107
N-[(3R)-3-[4-[acetyl(3-thienylmethyl)amino]-1-piperidyl]butyl]-6-chloro-2,4-dimethyl-pyridine-3-carboxamide
CID 62706108
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
5-chloro-N'-[(1Z)-1-(pyridin-3-yl)ethylidene]thiophene-2-carbohydrazide
CID 25237319
5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 750373
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
CID 10021460
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10021461
(3,4-Dichlorophenyl)-[4-fluoro-4-[[(6-thiophen-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10719425
5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 25182692

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 42605992) is (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)s3)CC2)nc1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is DLTUMAZKHXVMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3OS/c1-13-2-3-14(22-10-13)11-21-12-18(20)6-8-23(9-7-18)17(24)15-4-5-16(19)25-15/h2-5,10,21H,6-9,11-12H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 381.90 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42605992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).