N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide

C14H21ClN2OS — CID 62674900

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CC1CCCNC1
InChIInChI=1S/C14H21ClN2OS/c1-2-17(10-12-5-6-13(15)19-12)14(18)8-11-4-3-7-16-9-11/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyCAUJNGXZLIVIDK-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.14
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide (PubChem CID 62674900) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide
PubChem CID62674900
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CC1CCCNC1
InChIInChI=1S/C14H21ClN2OS/c1-2-17(10-12-5-6-13(15)19-12)14(18)8-11-4-3-7-16-9-11/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyCAUJNGXZLIVIDK-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62675072
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide;hydrochloride
CID 119688622
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119688630
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583465
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571722
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177344
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide (CID 62674900) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide is CCN(Cc1ccc(Cl)s1)C(=O)CC1CCCNC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide?
The InChIKey is CAUJNGXZLIVIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-2-17(10-12-5-6-13(15)19-12)14(18)8-11-4-3-7-16-9-11/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide has a molecular weight of 300.85 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62674900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).