4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C18H30N4OS — CID 97039665

IUPAC4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESC[C@H]1CN(C)CCN1CC1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C18H30N4OS/c1-15-13-20(2)9-10-22(15)14-16-5-7-21(8-6-16)18(23)19-12-17-4-3-11-24-17/h3-4,11,15-16H,5-10,12-14H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyNWMDGMNULMIHBV-HNNXBMFYSA-N
MW350.53 g/mol
LogP2.31
Rot. Bonds4

About 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 97039665) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID97039665
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESC[C@H]1CN(C)CCN1CC1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C18H30N4OS/c1-15-13-20(2)9-10-22(15)14-16-5-7-21(8-6-16)18(23)19-12-17-4-3-11-24-17/h3-4,11,15-16H,5-10,12-14H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyNWMDGMNULMIHBV-HNNXBMFYSA-N
XLogP2.31
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 97039658
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71781115
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 138379812
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515
4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 121152261
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075
N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 71785150
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71783426

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 97039665) is 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is C[C@H]1CN(C)CCN1CC1CCN(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is NWMDGMNULMIHBV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-15-13-20(2)9-10-22(15)14-16-5-7-21(8-6-16)18(23)19-12-17-4-3-11-24-17/h3-4,11,15-16H,5-10,12-14H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97039665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).