4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide

C17H28N4OS — CID 97039658

IUPAC4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESC[C@@H]1CN(C)CCN1CC1CCN(C(=O)Nc2cccs2)CC1
InChIInChI=1S/C17H28N4OS/c1-14-12-19(2)9-10-21(14)13-15-5-7-20(8-6-15)17(22)18-16-4-3-11-23-16/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyRKUFYCKPMDVSJX-CQSZACIVSA-N
MW336.50 g/mol
LogP2.63
Rot. Bonds3

About 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide

4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 97039658) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID97039658
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Name4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESC[C@@H]1CN(C)CCN1CC1CCN(C(=O)Nc2cccs2)CC1
InChIInChI=1S/C17H28N4OS/c1-14-12-19(2)9-10-21(14)13-15-5-7-20(8-6-15)17(22)18-16-4-3-11-23-16/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyRKUFYCKPMDVSJX-CQSZACIVSA-N
XLogP2.63
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 97039665
2-methyl-N-thiophen-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 121185472
4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide
CID 30864308
cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 71784715
2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784724
(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide
CID 100702386
1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97039635
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(3-methylphenyl)ethanone;formic acid
CID 71784743
4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
CID 90558841
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone;formic acid
CID 71784751
(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100633412
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide (CID 97039658) is 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide is C[C@@H]1CN(C)CCN1CC1CCN(C(=O)Nc2cccs2)CC1.
What is the InChIKey of 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is RKUFYCKPMDVSJX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-14-12-19(2)9-10-21(14)13-15-5-7-20(8-6-15)17(22)18-16-4-3-11-23-16/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H,18,22)/t14-/m1/s1.
What are the key properties of 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 97039658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).