N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide

C15H19FN2O2S — CID 107036683

IUPACN-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cc(S)ccc2F)CC1
InChIInChI=1S/C15H19FN2O2S/c1-10(19)17-9-11-4-6-18(7-5-11)15(20)13-8-12(21)2-3-14(13)16/h2-3,8,11,21H,4-7,9H2,1H3,(H,17,19)
InChIKeyMUNREMRVUWZGKF-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.10
Rot. Bonds3

About N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 107036683) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID107036683
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC NameN-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cc(S)ccc2F)CC1
InChIInChI=1S/C15H19FN2O2S/c1-10(19)17-9-11-4-6-18(7-5-11)15(20)13-8-12(21)2-3-14(13)16/h2-3,8,11,21H,4-7,9H2,1H3,(H,17,19)
InChIKeyMUNREMRVUWZGKF-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543787
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
CID 102736730
N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide
CID 51096292
N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 103956700
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150855
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
(2-bromo-5-sulfanylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 107030318
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide (CID 107036683) is N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2cc(S)ccc2F)CC1.
What is the InChIKey of N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is MUNREMRVUWZGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-10(19)17-9-11-4-6-18(7-5-11)15(20)13-8-12(21)2-3-14(13)16/h2-3,8,11,21H,4-7,9H2,1H3,(H,17,19).
What are the key properties of N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 310.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 107036683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).