N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid

C16H26N4O4S — CID 154909808

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
SMILESNc1nc(CNC(=O)C2CCN(C3CCOCC3)CC2)cs1.O=CO
InChIInChI=1S/C15H24N4O2S.CH2O2/c16-15-18-12(10-22-15)9-17-14(20)11-1-5-19(6-2-11)13-3-7-21-8-4-13;2-1-3/h10-11,13H,1-9H2,(H2,16,18)(H,17,20);1H,(H,2,3)
InChIKeyANAAVEPOUDUHJT-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.93
Rot. Bonds4

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid

N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid (PubChem CID 154909808) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
PubChem CID154909808
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
SMILESNc1nc(CNC(=O)C2CCN(C3CCOCC3)CC2)cs1.O=CO
InChIInChI=1S/C15H24N4O2S.CH2O2/c16-15-18-12(10-22-15)9-17-14(20)11-1-5-19(6-2-11)13-3-7-21-8-4-13;2-1-3/h10-11,13H,1-9H2,(H2,16,18)(H,17,20);1H,(H,2,3)
InChIKeyANAAVEPOUDUHJT-UHFFFAOYSA-N
XLogP0.93
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
CID 154905677
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 118769145
1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72844101
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155939716
1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 118768994
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
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 118770462
N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide
CID 134073729

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid (CID 154909808) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid is Nc1nc(CNC(=O)C2CCN(C3CCOCC3)CC2)cs1.O=CO.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid?
The InChIKey is ANAAVEPOUDUHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.CH2O2/c16-15-18-12(10-22-15)9-17-14(20)11-1-5-19(6-2-11)13-3-7-21-8-4-13;2-1-3/h10-11,13H,1-9H2,(H2,16,18)(H,17,20);1H,(H,2,3).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid has a molecular weight of 370.48 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 154909808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).