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

C19H19ClN4O2S — CID 172559045

IUPAC1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3nc(Cl)nc4ccsc34)C2)cc1
InChIInChI=1S/C19H19ClN4O2S/c1-26-14-6-4-13(5-7-14)21-18(25)12-3-2-9-24(11-12)17-16-15(8-10-27-16)22-19(20)23-17/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,25)
InChIKeyZCRPBVKOMOYDML-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.21
Rot. Bonds4

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

1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 172559045) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID172559045
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3nc(Cl)nc4ccsc34)C2)cc1
InChIInChI=1S/C19H19ClN4O2S/c1-26-14-6-4-13(5-7-14)21-18(25)12-3-2-9-24(11-12)17-16-15(8-10-27-16)22-19(20)23-17/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,25)
InChIKeyZCRPBVKOMOYDML-UHFFFAOYSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 172559032
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
(3S)-N-(3-fluoro-4-methylphenyl)-1-[3-(3-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899352
(3R)-N-(4-fluoro-3-methylphenyl)-1-[3-(3-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899377
N-(4-methoxyphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926402
1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 20889548
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 95114666
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
(3R)-N-[4-(2-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047726
(3S)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899472
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 172559045) is 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3nc(Cl)nc4ccsc34)C2)cc1.
What is the InChIKey of 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is ZCRPBVKOMOYDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-26-14-6-4-13(5-7-14)21-18(25)12-3-2-9-24(11-12)17-16-15(8-10-27-16)22-19(20)23-17/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,25).
What are the key properties of 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 402.91 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 172559045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).