N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride

C18H26ClN5OS — CID 120555723

IUPACN-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CCCN(c2ncnc3sccc23)C1.Cl
InChIInChI=1S/C18H25N5OS.ClH/c1-12-9-19-6-4-15(12)22-17(24)13-3-2-7-23(10-13)16-14-5-8-25-18(14)21-11-20-16;/h5,8,11-13,15,19H,2-4,6-7,9-10H2,1H3,(H,22,24);1H
InChIKeyUSPOYWDNPSRVDA-UHFFFAOYSA-N
MW395.96 g/mol
LogP2.44
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride

N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120555723) has the molecular formula C18H26ClN5OS and a molecular weight of 395.96 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID120555723
Molecular FormulaC18H26ClN5OS
Molecular Weight395.96 g/mol
Exact Mass395.15
IUPAC NameN-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CCCN(c2ncnc3sccc23)C1.Cl
InChIInChI=1S/C18H25N5OS.ClH/c1-12-9-19-6-4-15(12)22-17(24)13-3-2-7-23(10-13)16-14-5-8-25-18(14)21-11-20-16;/h5,8,11-13,15,19H,2-4,6-7,9-10H2,1H3,(H,22,24);1H
InChIKeyUSPOYWDNPSRVDA-UHFFFAOYSA-N
XLogP2.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R)-3-methyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119369272
N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119499104
(3S)-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 124882523
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methanone;hydrochloride
CID 119541949
N-(4-aminophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 167778225
N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119516362
N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119668283
4-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119352886
N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 119575525
N-cyclopropyl-1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56867201
2-[2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 119353221
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride (CID 120555723) is N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1CCCN(c2ncnc3sccc23)C1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is USPOYWDNPSRVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS.ClH/c1-12-9-19-6-4-15(12)22-17(24)13-3-2-7-23(10-13)16-14-5-8-25-18(14)21-11-20-16;/h5,8,11-13,15,19H,2-4,6-7,9-10H2,1H3,(H,22,24);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120555723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).