N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide

C16H20N4OS — CID 131946230

IUPACN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCN(Cc2ccsc2)CC1)c1cncnc1
InChIInChI=1S/C16H20N4OS/c21-16(15-8-17-12-18-9-15)19-7-13-1-4-20(5-2-13)10-14-3-6-22-11-14/h3,6,8-9,11-13H,1-2,4-5,7,10H2,(H,19,21)
InChIKeyVXECEAISQPXVMD-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide

N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 131946230) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
PubChem CID131946230
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCN(Cc2ccsc2)CC1)c1cncnc1
InChIInChI=1S/C16H20N4OS/c21-16(15-8-17-12-18-9-15)19-7-13-1-4-20(5-2-13)10-14-3-6-22-11-14/h3,6,8-9,11-13H,1-2,4-5,7,10H2,(H,19,21)
InChIKeyVXECEAISQPXVMD-UHFFFAOYSA-N
XLogP2.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
1-tert-butyl-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 121057602
3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
CID 71961623
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
1-(2-phenoxyethyl)-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 71796742
N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110116947
N-(pyrimidin-5-ylmethyl)-N-[(4S)-1-(thiophen-3-ylmethyl)azepan-4-yl]acetamide
CID 129336414
[1-(thiophen-3-ylmethyl)piperidin-4-yl] 5-methylpyridine-3-carboxylate
CID 75384152
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide (CID 131946230) is N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide is O=C(NCC1CCN(Cc2ccsc2)CC1)c1cncnc1.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is VXECEAISQPXVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16(15-8-17-12-18-9-15)19-7-13-1-4-20(5-2-13)10-14-3-6-22-11-14/h3,6,8-9,11-13H,1-2,4-5,7,10H2,(H,19,21).
What are the key properties of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 131946230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).