N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide

C17H23N3OS — CID 58933544

IUPACN-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)c3cc[nH]c3)CC2)s1
InChIInChI=1S/C17H23N3OS/c1-13-2-3-16(22-13)12-20-8-5-14(6-9-20)10-19-17(21)15-4-7-18-11-15/h2-4,7,11,14,18H,5-6,8-10,12H2,1H3,(H,19,21)
InChIKeyWEFQGAMKLVCQTL-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.03
Rot. Bonds5

About N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide

N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 58933544) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID58933544
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)c3cc[nH]c3)CC2)s1
InChIInChI=1S/C17H23N3OS/c1-13-2-3-16(22-13)12-20-8-5-14(6-9-20)10-19-17(21)15-4-7-18-11-15/h2-4,7,11,14,18H,5-6,8-10,12H2,1H3,(H,19,21)
InChIKeyWEFQGAMKLVCQTL-UHFFFAOYSA-N
XLogP3.03
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 58933562
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 142177078
3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 65062242
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 121020761
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97380947
(4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375300
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide (CID 58933544) is N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide is Cc1ccc(CN2CCC(CNC(=O)c3cc[nH]c3)CC2)s1.
What is the InChIKey of N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is WEFQGAMKLVCQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13-2-3-16(22-13)12-20-8-5-14(6-9-20)10-19-17(21)15-4-7-18-11-15/h2-4,7,11,14,18H,5-6,8-10,12H2,1H3,(H,19,21).
What are the key properties of N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 58933544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).