N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide

C19H25N3O3S — CID 119762304

IUPACN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)C1CCNCC1
InChIInChI=1S/C19H25N3O3S/c1-13(15-6-8-20-9-7-15)10-17(23)21-16-4-2-14(3-5-16)11-22-18(24)12-26-19(22)25/h2-5,13,15,20H,6-12H2,1H3,(H,21,23)
InChIKeyYOJRZVKBUAMTFV-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.85
Rot. Bonds6

About N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide

N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119762304) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119762304
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)C1CCNCC1
InChIInChI=1S/C19H25N3O3S/c1-13(15-6-8-20-9-7-15)10-17(23)21-16-4-2-14(3-5-16)11-22-18(24)12-26-19(22)25/h2-5,13,15,20H,6-12H2,1H3,(H,21,23)
InChIKeyYOJRZVKBUAMTFV-UHFFFAOYSA-N
XLogP2.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 119843495
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
CID 119862150
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
CID 119775698
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119749383

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide (CID 119762304) is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)C1CCNCC1.
What is the InChIKey of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is YOJRZVKBUAMTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13(15-6-8-20-9-7-15)10-17(23)21-16-4-2-14(3-5-16)11-22-18(24)12-26-19(22)25/h2-5,13,15,20H,6-12H2,1H3,(H,21,23).
What are the key properties of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide?
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 375.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119762304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).