N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride

C22H24ClFN4OS — CID 171667022

IUPACN-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1nccs1)C1CCCN(Cc2ccc(F)cc2)C1)c1ccccn1
InChIInChI=1S/C22H23FN4OS.ClH/c23-18-8-6-16(7-9-18)14-27-12-3-4-17(15-27)20(22-25-11-13-29-22)26-21(28)19-5-1-2-10-24-19;/h1-2,5-11,13,17,20H,3-4,12,14-15H2,(H,26,28);1H
InChIKeyKHZLXTCRUGLMRX-UHFFFAOYSA-N
MW446.98 g/mol
LogP4.48
Rot. Bonds6

About N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride

N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 171667022) has the molecular formula C22H24ClFN4OS and a molecular weight of 446.98 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride
PubChem CID171667022
Molecular FormulaC22H24ClFN4OS
Molecular Weight446.98 g/mol
Exact Mass446.13
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1nccs1)C1CCCN(Cc2ccc(F)cc2)C1)c1ccccn1
InChIInChI=1S/C22H23FN4OS.ClH/c23-18-8-6-16(7-9-18)14-27-12-3-4-17(15-27)20(22-25-11-13-29-22)26-21(28)19-5-1-2-10-24-19;/h1-2,5-11,13,17,20H,3-4,12,14-15H2,(H,26,28);1H
InChIKeyKHZLXTCRUGLMRX-UHFFFAOYSA-N
XLogP4.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 93239140
N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 124818980
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110243763
N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
CID 92574131
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215566
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 110228766
N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215595
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 92574646
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 110229251
N-[[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215598
N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride (CID 171667022) is N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride is Cl.O=C(NC(c1nccs1)C1CCCN(Cc2ccc(F)cc2)C1)c1ccccn1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is KHZLXTCRUGLMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS.ClH/c23-18-8-6-16(7-9-18)14-27-12-3-4-17(15-27)20(22-25-11-13-29-22)26-21(28)19-5-1-2-10-24-19;/h1-2,5-11,13,17,20H,3-4,12,14-15H2,(H,26,28);1H.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride?
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 446.98 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 171667022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).