N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

C22H27N5OS — CID 39085277

IUPACN-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCc1cc2c(NCCC(=O)NC3CCN(Cc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C22H27N5OS/c1-16-13-19-21(24-15-25-22(19)29-16)23-10-7-20(28)26-18-8-11-27(12-9-18)14-17-5-3-2-4-6-17/h2-6,13,15,18H,7-12,14H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyIABKJVQKVVQDGM-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.58
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 39085277) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
PubChem CID39085277
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCc1cc2c(NCCC(=O)NC3CCN(Cc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C22H27N5OS/c1-16-13-19-21(24-15-25-22(19)29-16)23-10-7-20(28)26-18-8-11-27(12-9-18)14-17-5-3-2-4-6-17/h2-6,13,15,18H,7-12,14H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyIABKJVQKVVQDGM-UHFFFAOYSA-N
XLogP3.58
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309
6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409616
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39082261
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39085245
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 52985519
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188773
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 103322070

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (CID 39085277) is N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is Cc1cc2c(NCCC(=O)NC3CCN(Cc4ccccc4)CC3)ncnc2s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is IABKJVQKVVQDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-16-13-19-21(24-15-25-22(19)29-16)23-10-7-20(28)26-18-8-11-27(12-9-18)14-17-5-3-2-4-6-17/h2-6,13,15,18H,7-12,14H2,1H3,(H,26,28)(H,23,24,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 409.56 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 39085277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).