3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide

C19H30N4O2S — CID 136525975

IUPAC3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide
SMILESCNC(=O)C1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C19H30N4O2S/c1-20-18(24)16-4-2-8-23(13-16)19(25)21-12-15-6-9-22(10-7-15)14-17-5-3-11-26-17/h3,5,11,15-16H,2,4,6-10,12-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyBWLNUZCYFOXUNF-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.13
Rot. Bonds5

About 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide

3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 136525975) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide
PubChem CID136525975
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide
SMILESCNC(=O)C1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C19H30N4O2S/c1-20-18(24)16-4-2-8-23(13-16)19(25)21-12-15-6-9-22(10-7-15)14-17-5-3-11-26-17/h3,5,11,15-16H,2,4,6-10,12-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyBWLNUZCYFOXUNF-UHFFFAOYSA-N
XLogP2.13
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-methylsulfonyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 49056443
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 49056636
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
(Z)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]but-2-enamide
CID 49056027
(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94819295
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120634795
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2,3-dihydroindole-1-carboxamide
CID 49110751
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide (CID 136525975) is 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide is CNC(=O)C1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1.
What is the InChIKey of 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is BWLNUZCYFOXUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-20-18(24)16-4-2-8-23(13-16)19(25)21-12-15-6-9-22(10-7-15)14-17-5-3-11-26-17/h3,5,11,15-16H,2,4,6-10,12-14H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide?
3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 378.54 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 136525975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).