N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

C22H27ClN4OS — CID 172559033

IUPACN-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2nc(Cl)nc3ccsc23)CC1
InChIInChI=1S/C22H27ClN4OS/c23-21-24-17-3-6-29-18(17)19(25-21)27-4-1-16(2-5-27)20(28)26-22-10-13-7-14(11-22)9-15(8-13)12-22/h3,6,13-16H,1-2,4-5,7-12H2,(H,26,28)
InChIKeyYLNXWQHXSQILSJ-UHFFFAOYSA-N
MW431.01 g/mol
LogP4.65
Rot. Bonds3

About N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 172559033) has the molecular formula C22H27ClN4OS and a molecular weight of 431.01 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID172559033
Molecular FormulaC22H27ClN4OS
Molecular Weight431.01 g/mol
Exact Mass430.16
IUPAC NameN-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2nc(Cl)nc3ccsc23)CC1
InChIInChI=1S/C22H27ClN4OS/c23-21-24-17-3-6-29-18(17)19(25-21)27-4-1-16(2-5-27)20(28)26-22-10-13-7-14(11-22)9-15(8-13)12-22/h3,6,13-16H,1-2,4-5,7-12H2,(H,26,28)
InChIKeyYLNXWQHXSQILSJ-UHFFFAOYSA-N
XLogP4.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.01
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide 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

1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 172559032
2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine
CID 119090452
N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45019105
1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 172559045
N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588026
N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26909871
tert-butyl (2R)-4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 166595218
N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 43815693
N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 36790347
4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one
CID 171704646
1-adamantyl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 51301531
N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 68839233

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 172559033) is N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2nc(Cl)nc3ccsc23)CC1.
What is the InChIKey of N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is YLNXWQHXSQILSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4OS/c23-21-24-17-3-6-29-18(17)19(25-21)27-4-1-16(2-5-27)20(28)26-22-10-13-7-14(11-22)9-15(8-13)12-22/h3,6,13-16H,1-2,4-5,7-12H2,(H,26,28).
What are the key properties of N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 431.01 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 172559033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).