2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid

C15H22N2O3S — CID 79609917

IUPAC2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCN(CCc1cccs1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H22N2O3S/c1-16(7-6-13-3-2-10-21-13)15(20)17-8-4-12(5-9-17)11-14(18)19/h2-3,10,12H,4-9,11H2,1H3,(H,18,19)
InChIKeyDDCLBQDDNKPJBE-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.53
Rot. Bonds5

About 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid

2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79609917) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79609917
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCN(CCc1cccs1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H22N2O3S/c1-16(7-6-13-3-2-10-21-13)15(20)17-8-4-12(5-9-17)11-14(18)19/h2-3,10,12H,4-9,11H2,1H3,(H,18,19)
InChIKeyDDCLBQDDNKPJBE-UHFFFAOYSA-N
XLogP2.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 43527825
2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119807077
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616433
N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 79493806
2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178450
2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79488714
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
(2S)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid
CID 78980678

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid (CID 79609917) is 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid is CN(CCc1cccs1)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is DDCLBQDDNKPJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-16(7-6-13-3-2-10-21-13)15(20)17-8-4-12(5-9-17)11-14(18)19/h2-3,10,12H,4-9,11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79609917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).