4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C15H23N3O2S — CID 71783426

IUPAC4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H23N3O2S/c19-14(12-3-4-12)11-17-5-7-18(8-6-17)15(20)16-10-13-2-1-9-21-13/h1-2,9,12,14,19H,3-8,10-11H2,(H,16,20)
InChIKeyLHADUXPMJDPWLS-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.35
Rot. Bonds5

About 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 71783426) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID71783426
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H23N3O2S/c19-14(12-3-4-12)11-17-5-7-18(8-6-17)15(20)16-10-13-2-1-9-21-13/h1-2,9,12,14,19H,3-8,10-11H2,(H,16,20)
InChIKeyLHADUXPMJDPWLS-UHFFFAOYSA-N
XLogP1.35
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride
CID 71783425
4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
CID 71783438
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
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
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 126446363
4-(1,3-benzodioxol-5-ylmethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 94478472
4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 97039185
4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 166181138
N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 71785150
N-[(2,3-dimethoxyphenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 55909350

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 71783426) is 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1cccs1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is LHADUXPMJDPWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-14(12-3-4-12)11-17-5-7-18(8-6-17)15(20)16-10-13-2-1-9-21-13/h1-2,9,12,14,19H,3-8,10-11H2,(H,16,20).
What are the key properties of 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71783426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).