(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C18H27N3OS — CID 124695969

IUPAC(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H]2CSCN2)C1
InChIInChI=1S/C18H27N3OS/c1-14-5-4-8-21(10-14)11-16-7-3-2-6-15(16)9-19-18(22)17-12-23-13-20-17/h2-3,6-7,14,17,20H,4-5,8-13H2,1H3,(H,19,22)/t14-,17-/m0/s1
InChIKeyFCIGVTYACSNDIF-YOEHRIQHSA-N
MW333.50 g/mol
LogP2.20
Rot. Bonds5

About (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 124695969) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID124695969
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H]2CSCN2)C1
InChIInChI=1S/C18H27N3OS/c1-14-5-4-8-21(10-14)11-16-7-3-2-6-15(16)9-19-18(22)17-12-23-13-20-17/h2-3,6-7,14,17,20H,4-5,8-13H2,1H3,(H,19,22)/t14-,17-/m0/s1
InChIKeyFCIGVTYACSNDIF-YOEHRIQHSA-N
XLogP2.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119845510
(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124694508
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848773
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 55964578
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55714231

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 124695969) is (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide is C[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H]2CSCN2)C1.
What is the InChIKey of (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FCIGVTYACSNDIF-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-14-5-4-8-21(10-14)11-16-7-3-2-6-15(16)9-19-18(22)17-12-23-13-20-17/h2-3,6-7,14,17,20H,4-5,8-13H2,1H3,(H,19,22)/t14-,17-/m0/s1.
What are the key properties of (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124695969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).