5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine

C17H22N4S — CID 141133520

IUPAC5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine
SMILESC=CCc1cnc(N[C@@H]2CCCN(Cc3ccsc3)C2)cn1
InChIInChI=1S/C17H22N4S/c1-2-4-15-9-19-17(10-18-15)20-16-5-3-7-21(12-16)11-14-6-8-22-13-14/h2,6,8-10,13,16H,1,3-5,7,11-12H2,(H,19,20)/t16-/m1/s1
InChIKeyQQGWPRNRZNKYAZ-MRXNPFEDSA-N
MW314.46 g/mol
LogP3.34
Rot. Bonds6

About 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine

5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine (PubChem CID 141133520) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine
PubChem CID141133520
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Name5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine
SMILESC=CCc1cnc(N[C@@H]2CCCN(Cc3ccsc3)C2)cn1
InChIInChI=1S/C17H22N4S/c1-2-4-15-9-19-17(10-18-15)20-16-5-3-7-21(12-16)11-14-6-8-22-13-14/h2,6,8-10,13,16H,1,3-5,7,11-12H2,(H,19,20)/t16-/m1/s1
InChIKeyQQGWPRNRZNKYAZ-MRXNPFEDSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]pyrrolidin-1-yl]methyl]phenol
CID 141133442
ethyl (E)-3-[5-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 140500534
2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone
CID 141133490
N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine
CID 141181166
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68962344
(E)-3-[5-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]pyrazin-2-yl]prop-2-enoic acid
CID 69340376
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 45223884
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine
CID 106571939
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110116947

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine?
The IUPAC name of 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine (CID 141133520) is 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine is C=CCc1cnc(N[C@@H]2CCCN(Cc3ccsc3)C2)cn1.
What is the InChIKey of 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine?
The InChIKey is QQGWPRNRZNKYAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4S/c1-2-4-15-9-19-17(10-18-15)20-16-5-3-7-21(12-16)11-14-6-8-22-13-14/h2,6,8-10,13,16H,1,3-5,7,11-12H2,(H,19,20)/t16-/m1/s1.
What are the key properties of 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine?
5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine has a molecular weight of 314.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 141133520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).