3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide

C12H21N3O2S — CID 124592205

IUPAC3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CSCN2)C1
InChIInChI=1S/C12H21N3O2S/c13-11(16)4-3-9-2-1-5-15(6-9)12(17)10-7-18-8-14-10/h9-10,14H,1-8H2,(H2,13,16)/t9-,10+/m1/s1
InChIKeySUZGMPHWXZKHDN-ZJUUUORDSA-N
MW271.39 g/mol
LogP0.15
Rot. Bonds4

About 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide

3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide (PubChem CID 124592205) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide
PubChem CID124592205
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CSCN2)C1
InChIInChI=1S/C12H21N3O2S/c13-11(16)4-3-9-2-1-5-15(6-9)12(17)10-7-18-8-14-10/h9-10,14H,1-8H2,(H2,13,16)/t9-,10+/m1/s1
InChIKeySUZGMPHWXZKHDN-ZJUUUORDSA-N
XLogP0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322524
3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide
CID 119758308
3-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]propanamide
CID 120928873
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide
CID 166220958
N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide
CID 93371379
[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124701848
[4-(cyclopentylmethoxy)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 91645145
[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 63166761
1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 54916318
[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119322366

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide (CID 124592205) is 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide is NC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CSCN2)C1.
What is the InChIKey of 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide?
The InChIKey is SUZGMPHWXZKHDN-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21N3O2S/c13-11(16)4-3-9-2-1-5-15(6-9)12(17)10-7-18-8-14-10/h9-10,14H,1-8H2,(H2,13,16)/t9-,10+/m1/s1.
What are the key properties of 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide?
3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide has a molecular weight of 271.39 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 124592205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).