4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C20H25N3OS — CID 126446363

IUPAC4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H25N3OS/c24-20(21-15-19-6-3-13-25-19)23-11-9-22(10-12-23)18-8-7-16-4-1-2-5-17(16)14-18/h1-6,13,18H,7-12,14-15H2,(H,21,24)/t18-/m1/s1
InChIKeyPAIPZQFENPFOHO-GOSISDBHSA-N
MW355.51 g/mol
LogP3.13
Rot. Bonds3

About 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 126446363) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID126446363
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H25N3OS/c24-20(21-15-19-6-3-13-25-19)23-11-9-22(10-12-23)18-8-7-16-4-1-2-5-17(16)14-18/h1-6,13,18H,7-12,14-15H2,(H,21,24)/t18-/m1/s1
InChIKeyPAIPZQFENPFOHO-GOSISDBHSA-N
XLogP3.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
CID 126436027
2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
CID 126434125
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71783426
N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
CID 97283042
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride
CID 71783425
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
4-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperazine-1-carboxamide
CID 119070259
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47125506
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 126446363) is 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1cccs1)N1CCN([C@@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is PAIPZQFENPFOHO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3OS/c24-20(21-15-19-6-3-13-25-19)23-11-9-22(10-12-23)18-8-7-16-4-1-2-5-17(16)14-18/h1-6,13,18H,7-12,14-15H2,(H,21,24)/t18-/m1/s1.
What are the key properties of 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 126446363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).