N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide

C21H29N3O2S — CID 45239979

IUPACN-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2ccc(CN3CCCC3)s2)C1)c1ccco1
InChIInChI=1S/C21H29N3O2S/c25-21(20-6-4-12-26-20)22-13-17-5-3-11-24(14-17)16-19-8-7-18(27-19)15-23-9-1-2-10-23/h4,6-8,12,17H,1-3,5,9-11,13-16H2,(H,22,25)
InChIKeyCCSQFQXJWWVSOF-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.58
Rot. Bonds7

About N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide

N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 45239979) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID45239979
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2ccc(CN3CCCC3)s2)C1)c1ccco1
InChIInChI=1S/C21H29N3O2S/c25-21(20-6-4-12-26-20)22-13-17-5-3-11-24(14-17)16-19-8-7-18(27-19)15-23-9-1-2-10-23/h4,6-8,12,17H,1-3,5,9-11,13-16H2,(H,22,25)
InChIKeyCCSQFQXJWWVSOF-UHFFFAOYSA-N
XLogP3.58
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-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-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 45199299
N-[[(3S)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 26329221
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117
N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282357
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 155944636
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347
N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 72882861
4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide
CID 49215023
N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131910940
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide (CID 45239979) is N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide is O=C(NCC1CCCN(Cc2ccc(CN3CCCC3)s2)C1)c1ccco1.
What is the InChIKey of N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is CCSQFQXJWWVSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c25-21(20-6-4-12-26-20)22-13-17-5-3-11-24(14-17)16-19-8-7-18(27-19)15-23-9-1-2-10-23/h4,6-8,12,17H,1-3,5,9-11,13-16H2,(H,22,25).
What are the key properties of N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 45239979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).