4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid

C14H21N3O3S — CID 154762701

IUPAC4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCC(NC(=O)N1CCC(C)C(C(=O)O)C1)c1nccs1
InChIInChI=1S/C14H21N3O3S/c1-3-11(12-15-5-7-21-12)16-14(20)17-6-4-9(2)10(8-17)13(18)19/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFYMHXBBVFRVDCJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.35
Rot. Bonds4

About 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid

4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 154762701) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID154762701
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCC(NC(=O)N1CCC(C)C(C(=O)O)C1)c1nccs1
InChIInChI=1S/C14H21N3O3S/c1-3-11(12-15-5-7-21-12)16-14(20)17-6-4-9(2)10(8-17)13(18)19/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFYMHXBBVFRVDCJ-UHFFFAOYSA-N
XLogP2.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815807
4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596967
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124596949
(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 97096563
4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 75437484
(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596974
5,8-difluoro-N-[1-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922981
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 72871127
2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 79384523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid (CID 154762701) is 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid is CCC(NC(=O)N1CCC(C)C(C(=O)O)C1)c1nccs1.
What is the InChIKey of 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FYMHXBBVFRVDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-11(12-15-5-7-21-12)16-14(20)17-6-4-9(2)10(8-17)13(18)19/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 154762701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).