1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid

C15H22N2O3S — CID 61455664

IUPAC1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)N(Cc1cccs1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H22N2O3S/c1-11(2)17(10-13-6-4-8-21-13)15(20)16-7-3-5-12(9-16)14(18)19/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,18,19)
InChIKeyOPEFDFNUXNOOAW-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.88
Rot. Bonds4

About 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid

1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 61455664) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID61455664
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)N(Cc1cccs1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H22N2O3S/c1-11(2)17(10-13-6-4-8-21-13)15(20)16-7-3-5-12(9-16)14(18)19/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,18,19)
InChIKeyOPEFDFNUXNOOAW-UHFFFAOYSA-N
XLogP2.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81117787
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030379
2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616433
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
N-cyclopropyl-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 116654649
(2S,4S)-4-hydroxy-1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64712718
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 43527825
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
(3S)-1-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperidine-3-carboxylic acid
CID 119113694

Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid (CID 61455664) is 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid is CC(C)N(Cc1cccs1)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is OPEFDFNUXNOOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)17(10-13-6-4-8-21-13)15(20)16-7-3-5-12(9-16)14(18)19/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61455664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).