N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide

C19H24N4O4S — CID 56566588

IUPACN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCC(=O)NC1CCCN(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)C1
InChIInChI=1S/C19H24N4O4S/c1-2-16(24)20-15-4-3-9-22(11-15)18(26)21-14-7-5-13(6-8-14)10-23-17(25)12-28-19(23)27/h5-8,15H,2-4,9-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyOIOWEGJGRXAGJR-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.40
Rot. Bonds5

About N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide

N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide (PubChem CID 56566588) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide
PubChem CID56566588
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCC(=O)NC1CCCN(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)C1
InChIInChI=1S/C19H24N4O4S/c1-2-16(24)20-15-4-3-9-22(11-15)18(26)21-14-7-5-13(6-8-14)10-23-17(25)12-28-19(23)27/h5-8,15H,2-4,9-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyOIOWEGJGRXAGJR-UHFFFAOYSA-N
XLogP2.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.40
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

N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 56566646
1-[[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122078680
(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595317
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
3-[[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 119490977
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride
CID 119311151
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 56566617
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
CID 119762304
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide?
The IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide (CID 56566588) is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide is CCC(=O)NC1CCCN(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)C1.
What is the InChIKey of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide?
The InChIKey is OIOWEGJGRXAGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-2-16(24)20-15-4-3-9-22(11-15)18(26)21-14-7-5-13(6-8-14)10-23-17(25)12-28-19(23)27/h5-8,15H,2-4,9-12H2,1H3,(H,20,24)(H,21,26).
What are the key properties of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide?
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.40, 5 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-(propanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 56566588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).