N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide

C14H21ClN2O2S — CID 110016919

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
SMILESCC1CCCC(CO)N1CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O2S/c1-10-3-2-4-11(9-18)17(10)8-14(19)16-7-12-5-6-13(15)20-12/h5-6,10-11,18H,2-4,7-9H2,1H3,(H,16,19)
InChIKeyFHUBEQZBZUFPLP-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.25
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide (PubChem CID 110016919) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
PubChem CID110016919
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
SMILESCC1CCCC(CO)N1CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O2S/c1-10-3-2-4-11(9-18)17(10)8-14(19)16-7-12-5-6-13(15)20-12/h5-6,10-11,18H,2-4,7-9H2,1H3,(H,16,19)
InChIKeyFHUBEQZBZUFPLP-UHFFFAOYSA-N
XLogP2.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 75813166
N-[(5-chlorothiophen-2-yl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46449000
methyl 5-[[(2S,6S)-2-(hydroxymethyl)-6-methylpiperidin-1-yl]methyl]thiophene-2-carboxylate
CID 97343816
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 56815752
2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110016946
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 104968240
2-(1-aminocyclopentyl)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 64676702
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 94428351
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972224
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
(4aR,8aR)-N-[(5-chlorothiophen-2-yl)methyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 124611075

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide (CID 110016919) is N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide is CC1CCCC(CO)N1CC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide?
The InChIKey is FHUBEQZBZUFPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-3-2-4-11(9-18)17(10)8-14(19)16-7-12-5-6-13(15)20-12/h5-6,10-11,18H,2-4,7-9H2,1H3,(H,16,19).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide has a molecular weight of 316.85 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 110016919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).