N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide

C18H25FN2OS — CID 71991294

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)C1CCCS1
InChIInChI=1S/C18H25FN2OS/c19-16-5-2-1-4-15(16)13-21-9-7-14(8-10-21)12-20-18(22)17-6-3-11-23-17/h1-2,4-5,14,17H,3,6-13H2,(H,20,22)
InChIKeyQQKHZCBOVXOPON-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.05
Rot. Bonds5

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide (PubChem CID 71991294) has the molecular formula C18H25FN2OS and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide
PubChem CID71991294
Molecular FormulaC18H25FN2OS
Molecular Weight336.48 g/mol
Exact Mass336.17
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)C1CCCS1
InChIInChI=1S/C18H25FN2OS/c19-16-5-2-1-4-15(16)13-21-9-7-14(8-10-21)12-20-18(22)17-6-3-11-23-17/h1-2,4-5,14,17H,3,6-13H2,(H,20,22)
InChIKeyQQKHZCBOVXOPON-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 75423564
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563
N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide
CID 51104070
1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 22430495
N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91912947
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786241
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
N-[4-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954919
1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 154884967
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide (CID 71991294) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide is O=C(NCC1CCN(Cc2ccccc2F)CC1)C1CCCS1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide?
The InChIKey is QQKHZCBOVXOPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2OS/c19-16-5-2-1-4-15(16)13-21-9-7-14(8-10-21)12-20-18(22)17-6-3-11-23-17/h1-2,4-5,14,17H,3,6-13H2,(H,20,22).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide is sourced from PubChem (CID 71991294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).