(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide

C14H22N4O2S — CID 97113726

IUPAC(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
SMILESCc1csc(CCCNC(=O)[C@H]2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C14H22N4O2S/c1-10-9-21-12(17-10)5-2-6-16-13(19)11-4-3-7-18(8-11)14(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H,16,19)/t11-/m0/s1
InChIKeyGGDPLOQGVYYGBY-NSHDSACASA-N
MW310.42 g/mol
LogP1.29
Rot. Bonds5

About (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide (PubChem CID 97113726) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
PubChem CID97113726
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
SMILESCc1csc(CCCNC(=O)[C@H]2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C14H22N4O2S/c1-10-9-21-12(17-10)5-2-6-16-13(19)11-4-3-7-18(8-11)14(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H,16,19)/t11-/m0/s1
InChIKeyGGDPLOQGVYYGBY-NSHDSACASA-N
XLogP1.29
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72890644
(3S)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97198838
(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
CID 124527551
N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
CID 119875284
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 47017638
(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 51959451
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
(3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide
CID 97112978
2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975907
(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120635411

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide (CID 97113726) is (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide is Cc1csc(CCCNC(=O)[C@H]2CCCN(C(N)=O)C2)n1.
What is the InChIKey of (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide?
The InChIKey is GGDPLOQGVYYGBY-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10-9-21-12(17-10)5-2-6-16-13(19)11-4-3-7-18(8-11)14(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H,16,19)/t11-/m0/s1.
What are the key properties of (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97113726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).