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

C18H25N3OS — CID 58933562

IUPACN-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(CN2CCC(CNC(=O)c3cc[nH]c3)CC2)c(C)s1
InChIInChI=1S/C18H25N3OS/c1-13-9-17(14(2)23-13)12-21-7-4-15(5-8-21)10-20-18(22)16-3-6-19-11-16/h3,6,9,11,15,19H,4-5,7-8,10,12H2,1-2H3,(H,20,22)
InChIKeyIXUQSWALJABCKO-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.34
Rot. Bonds5

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

N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 58933562) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID58933562
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(CN2CCC(CNC(=O)c3cc[nH]c3)CC2)c(C)s1
InChIInChI=1S/C18H25N3OS/c1-13-9-17(14(2)23-13)12-21-7-4-15(5-8-21)10-20-18(22)16-3-6-19-11-16/h3,6,9,11,15,19H,4-5,7-8,10,12H2,1-2H3,(H,20,22)
InChIKeyIXUQSWALJABCKO-UHFFFAOYSA-N
XLogP3.34
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 58933544
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]propanoic acid
CID 65060027
N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 142177078
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065820
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 130216559
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 121126883
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
CID 119879593
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114146362
4-(1,3-dithian-2-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]benzamide
CID 86896852
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide (CID 58933562) is N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide is Cc1cc(CN2CCC(CNC(=O)c3cc[nH]c3)CC2)c(C)s1.
What is the InChIKey of N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is IXUQSWALJABCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-9-17(14(2)23-13)12-21-7-4-15(5-8-21)10-20-18(22)16-3-6-19-11-16/h3,6,9,11,15,19H,4-5,7-8,10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 331.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 58933562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).