N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide

C16H21N3OS — CID 59074854

IUPACN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)c1cc[nH]c1
InChIInChI=1S/C16H21N3OS/c20-16(14-3-6-17-11-14)18-10-13-4-7-19(8-5-13)12-15-2-1-9-21-15/h1-3,6,9,11,13,17H,4-5,7-8,10,12H2,(H,18,20)
InChIKeyIQDQXEIPIWDABE-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.72
Rot. Bonds5

About N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide

N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 59074854) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID59074854
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)c1cc[nH]c1
InChIInChI=1S/C16H21N3OS/c20-16(14-3-6-17-11-14)18-10-13-4-7-19(8-5-13)12-15-2-1-9-21-15/h1-3,6,9,11,13,17H,4-5,7-8,10,12H2,(H,18,20)
InChIKeyIQDQXEIPIWDABE-UHFFFAOYSA-N
XLogP2.72
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 58933544
3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896234
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16896225
N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 58933562
1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 136525348
3-(2,2-dimethylpropanoylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 49056474
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide
CID 48964508
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide (CID 59074854) is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide is O=C(NCC1CCN(Cc2cccs2)CC1)c1cc[nH]c1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is IQDQXEIPIWDABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-16(14-3-6-17-11-14)18-10-13-4-7-19(8-5-13)12-15-2-1-9-21-15/h1-3,6,9,11,13,17H,4-5,7-8,10,12H2,(H,18,20).
What are the key properties of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59074854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).