N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide

C19H25N3O2S2 — CID 49056517

IUPACN-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H25N3O2S2/c1-14(21-19(24)17-5-3-11-26-17)18(23)20-12-15-6-8-22(9-7-15)13-16-4-2-10-25-16/h2-5,10-11,14-15H,6-9,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyMZKVNQLGWJVCLR-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.96
Rot. Bonds7

About N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 49056517) has the molecular formula C19H25N3O2S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
PubChem CID49056517
Molecular FormulaC19H25N3O2S2
Molecular Weight391.56 g/mol
Exact Mass391.14
IUPAC NameN-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H25N3O2S2/c1-14(21-19(24)17-5-3-11-26-17)18(23)20-12-15-6-8-22(9-7-15)13-16-4-2-10-25-16/h2-5,10-11,14-15H,6-9,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyMZKVNQLGWJVCLR-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51092774
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
2-amino-2-(4-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 120669950
N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide
CID 49133501
(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 95149836
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide
CID 48964508
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
2-methyl-1-propan-2-yl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111125522
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16896225

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide (CID 49056517) is N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is MZKVNQLGWJVCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c1-14(21-19(24)17-5-3-11-26-17)18(23)20-12-15-6-8-22(9-7-15)13-16-4-2-10-25-16/h2-5,10-11,14-15H,6-9,12-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 49056517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).